[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone

C31H27NO5 — CID 71723332

IUPAC[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]c3c(-c4ccc(OC)cc4)c(OC)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H27NO5/c1-34-22-11-5-19(6-12-22)27-25-17-18-26(37-4)28(20-7-13-23(35-2)14-8-20)29(25)32-30(27)31(33)21-9-15-24(36-3)16-10-21/h5-18,32H,1-4H3
InChIKeyTWQASENEZITJFQ-UHFFFAOYSA-N
MW493.56 g/mol
LogP6.77
Rot. Bonds8

About [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone

[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 71723332) has the molecular formula C31H27NO5 and a molecular weight of 493.56 g/mol. Its IUPAC name is [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
PubChem CID71723332
Molecular FormulaC31H27NO5
Molecular Weight493.56 g/mol
Exact Mass493.19
IUPAC Name[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]c3c(-c4ccc(OC)cc4)c(OC)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H27NO5/c1-34-22-11-5-19(6-12-22)27-25-17-18-26(37-4)28(20-7-13-23(35-2)14-8-20)29(25)32-30(27)31(33)21-9-15-24(36-3)16-10-21/h5-18,32H,1-4H3
InChIKeyTWQASENEZITJFQ-UHFFFAOYSA-N
XLogP6.77
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
[4-bromo-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
CID 122224661
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
methyl 7-methoxy-3-methyl-4-oxo-8-phenyl-1H-quinoline-2-carboxylate
CID 71212531
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[6-methoxy-3-[4-methoxy-3-(phosphonatoamino)phenyl]-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755497
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone (CID 71723332) is [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2[nH]c3c(-c4ccc(OC)cc4)c(OC)ccc3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is TWQASENEZITJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO5/c1-34-22-11-5-19(6-12-22)27-25-17-18-26(37-4)28(20-7-13-23(35-2)14-8-20)29(25)32-30(27)31(33)21-9-15-24(36-3)16-10-21/h5-18,32H,1-4H3.
What are the key properties of [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone?
[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 493.56 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71723332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).