(2-Methyl-1H-indol-3-yl)(naphthalen-1-yl)methanone

HCID 11778684CAS 80749-33-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1[nH]c2ccccc2c1C(=O)c1cccc2ccccc12
InChIKey
OTDPQVHIHSTMFS-UHFFFAOYSA-N
Molecular formula
C20H15NO
Average molar mass
285.3 g/mol
Monoisotopic mass
285.1153641

Names & identifiers

Preferred name
(2-Methyl-1H-indol-3-yl)(naphthalen-1-yl)methanone
IUPAC
(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethanone
English name
(2-Methyl-1H-indol-3-yl)-1-naphthalenylmethanone
Molecular formula
C20H15NO
Molecular weight
285.34

Names & synonyms

80749-33-3(2-Methyl-1H-indol-3-yl)(naphthalen-1-yl)methanoneDTXSID70472432RefChem:206152DTXCID10423246(2-methyl-1h-indol-3-yl)-naphthalen-1-ylmethanone2-methyl-3-(naphthalene-1-carbonyl)-1H-indole(2-Methyl-1H-indol-3-yl)-1-naphthalenylmethanone1'-Naphthoyl-2-methylindole(2-methyl-1H-indol-3-yl)-1-naphthalenyl-methanoneCHEMBL430668Methanone, (2-methyl-1H-indol-3-yl)-1-naphthalenyl-
Show more names
1''-Naphthoyl-2-methylindole2-Methyl-3-(1-naphthoyl)indole(2-Methyl-1H-indol-3-yl)(1-naphthyl)methanone(2-Methyl-1H-indol-3-yl)(naphth-1-yl)methanone2-Methyl-3-[(naphth-1-yl)carbonyl]-1H-indole, 1-[(2-Methyl-1H-indol-3-yl)carbonyl]naphthalene
orb2802490SCHEMBL1165298OTDPQVHIHSTMFS-UHFFFAOYSA-NFDA74933MFCD16449457AKOS016004676GS-0039PD018926

Database identifiers

CAS
80749-33-3
PubChem CID
11778684
DTXSID
DTXSID70472432
ChEMBL
CHEMBL430668

Properties

Computed structural properties

XLogP
5
Topological polar surface area
32.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
22

Physicochemical properties

Melting point
229 · 229-230℃
Boiling point
491.876 · 491.876±25.00 °C(Press: 760.00 Torr)(predicted)
Density
1.238 · 1.238
solubility
30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS(pH 7.2) (1:2): 0.3 mg/ml
form
A crystalline solid
pka
15.789 · 15.789±0.30(predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501

Chemistry & industry

Applications

Uses(2-Methyl-1H-indol-3-yl)-1-naphthalenylmethanone is a compound used in the design, synthesis and pharmacology of cannabimimetic indoles.

Upstream & downstream products

Suppliers18 total

上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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