(2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone

C33H25NO2 — CID 102230996

IUPAC(2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone
SMILESCOc1ccc(C(=O)/C=C2/C(c3ccccc3)=C(c3ccccc3)c3c2n(C)c2ccccc32)cc1
InChIInChI=1S/C33H25NO2/c1-34-28-16-10-9-15-26(28)32-31(24-13-7-4-8-14-24)30(23-11-5-3-6-12-23)27(33(32)34)21-29(35)22-17-19-25(36-2)20-18-22/h3-21H,1-2H3/b27-21-
InChIKeyUGYAAZLCLDXGPV-MEFGMAGPSA-N
MW467.57 g/mol
LogP7.43
Rot. Bonds5

About (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone

(2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone (PubChem CID 102230996) has the molecular formula C33H25NO2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone
PubChem CID102230996
Molecular FormulaC33H25NO2
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC Name(2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone
SMILESCOc1ccc(C(=O)/C=C2/C(c3ccccc3)=C(c3ccccc3)c3c2n(C)c2ccccc32)cc1
InChIInChI=1S/C33H25NO2/c1-34-28-16-10-9-15-26(28)32-31(24-13-7-4-8-14-24)30(23-11-5-3-6-12-23)27(33(32)34)21-29(35)22-17-19-25(36-2)20-18-22/h3-21H,1-2H3/b27-21-
InChIKeyUGYAAZLCLDXGPV-MEFGMAGPSA-N
XLogP7.43
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
CID 67199866
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CID 155676892
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
1-methyl-2,3-diphenylindole
CID 11426096
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 102440445
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
CID 59672036
(E)-2-methyl-3-(1-methyl-2-phenylindol-3-yl)prop-2-enoic acid
CID 170873291
2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
CID 132607636

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone?
The IUPAC name of (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone (CID 102230996) is (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone.
What is the SMILES notation for (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone?
The canonical SMILES for (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone is COc1ccc(C(=O)/C=C2/C(c3ccccc3)=C(c3ccccc3)c3c2n(C)c2ccccc32)cc1.
What is the InChIKey of (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone?
The InChIKey is UGYAAZLCLDXGPV-MEFGMAGPSA-N. The full InChI is InChI=1S/C33H25NO2/c1-34-28-16-10-9-15-26(28)32-31(24-13-7-4-8-14-24)30(23-11-5-3-6-12-23)27(33(32)34)21-29(35)22-17-19-25(36-2)20-18-22/h3-21H,1-2H3/b27-21-.
What are the key properties of (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone?
(2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone has a molecular weight of 467.57 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone is sourced from PubChem (CID 102230996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).