Basic information
- CAS
3469-20-3- Standard SMILES
c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1- InChIKey
GYGKJNGSQQORRG-UHFFFAOYSA-N- Molecular formula
- C20H15N
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.12044948
Names & identifiers
- Preferred name
- 2,3-diphenyl-1H-indole
- IUPAC
- 2,3-diphenyl-1H-indole
- English name
- 2,3-DIPHENYLINDOLE
- Molecular formula
- C20H15N
- Molecular weight
- 269.34
Names & synonyms
2,3-Diphenyl-1H-indole2,3-Diphenylindole3469-20-3EINECS 222-432-0DTXSID50188241NSC 17363RefChem:442579DTXCID80110732222-432-01H-Indole, 2,3-diphenyl-MFCD000226982,3-Diphenylindol
Show more names
3-DIPHENYLINDOLEIndole, 2,3-diphenyl-isopropyl 2,3-diphenyl-1H-indole-1-carboxylate
Indole,3-diphenyl-1H-Indole,3-diphenyl-Oprea1_738570CHEMBL200719CCG-46312STK080838F1021-0578PD180139
Database identifiers
- CAS
3469-20-3- PubChem CID
- 77020
- DTXSID
DTXSID50188241- ChEMBL
CHEMBL200719- EC Number
- 222-432-0
- Nikkaji
- J216.138I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 124 · 124-126℃
- Boiling point
- 184 · 184-208 °C(Press: 0.065 Torr)
- Density
- 1.158 · 1.158
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 16.54 · 16.54±0.30(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
- InChIKey
- GYGKJNGSQQORRG-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(C2=CC=CC=C2)=C1C1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Suppliers54 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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