7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole

C31H25NO — CID 71514854

IUPAC7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole
SMILESCOc1ccc2c(c1)c1c(n2C)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C31H25NO/c1-32-28-19-18-25(33-2)20-26(28)29-27(22-12-6-3-7-13-22)21-31(30(29)32,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21H,1-2H3
InChIKeyZYZQOKNFUMQVAU-UHFFFAOYSA-N
MW427.55 g/mol
LogP6.97
Rot. Bonds4

About 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole

7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole (PubChem CID 71514854) has the molecular formula C31H25NO and a molecular weight of 427.55 g/mol. Its IUPAC name is 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole.

Molecular Properties

Compound Name7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole
PubChem CID71514854
Molecular FormulaC31H25NO
Molecular Weight427.55 g/mol
Exact Mass427.19
IUPAC Name7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole
SMILESCOc1ccc2c(c1)c1c(n2C)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C31H25NO/c1-32-28-19-18-25(33-2)20-26(28)29-27(22-12-6-3-7-13-22)21-31(30(29)32,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21H,1-2H3
InChIKeyZYZQOKNFUMQVAU-UHFFFAOYSA-N
XLogP6.97
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-methyl-6H-indeno[2,1-b]indole
CID 22722361
6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118319966
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole
CID 102261827
bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
CID 22722362
7-methoxy-2-methyl-3-phenylisoquinolin-1-one
CID 12931131
8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one
CID 66835268
7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]
CID 18770964
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate
CID 44514830

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole?
The IUPAC name of 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole (CID 71514854) is 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole.
What is the SMILES notation for 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole?
The canonical SMILES for 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole is COc1ccc2c(c1)c1c(n2C)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole?
The InChIKey is ZYZQOKNFUMQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO/c1-32-28-19-18-25(33-2)20-26(28)29-27(22-12-6-3-7-13-22)21-31(30(29)32,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21H,1-2H3.
What are the key properties of 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole?
7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole has a molecular weight of 427.55 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-1,3,3-triphenylcyclopenta[b]indole is sourced from PubChem (CID 71514854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).