Basic information
- CAS
10022-79-4- Standard SMILES
c1ccc(C2=NCCc3c2[nH]c2ccccc32)cc1- InChIKey
LDMKQGDSXJEJHC-UHFFFAOYSA-N- Molecular formula
- C17H14N2
- Average molar mass
- 246.31 g/mol
- Monoisotopic mass
- 246.11569846
Names & identifiers
- Preferred name
- 1-Phenyl-3H,4H,9H-pyrido[3,4-B]indole
- IUPAC
- 1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole
- English name
- 1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole
- Molecular formula
- C17H14N2
- Molecular weight
- 246.30646
Names & synonyms
10022-79-41-PHENYL-3H,4H,9H-PYRIDO[3,4-B]INDOLE1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-phenyl-1-PHENYL-3,4-DIHYDROBETA-CARBOLINECHEMBL1288871MFCD00245464SCHEMBL1520635DTXSID10402970KAA02279BDBM50331608AKOS022169665
Show more names
MS-87541-Phenyl-4,9-dihydro-3H-_-carbolineE71282
Database identifiers
- CAS
10022-79-4- PubChem CID
- 4410331
- DTXSID
DTXSID10402970- ChEMBL
CHEMBL1288871- Nikkaji
- J749.063A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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