3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

C32H28N2O — CID 57382188

IUPAC3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCOc1cccc(-c2ccccc2C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C32H28N2O/c1-20-30(26-15-6-8-17-28(26)33-20)32(31-21(2)34-29-18-9-7-16-27(29)31)25-14-5-4-13-24(25)22-11-10-12-23(19-22)35-3/h4-19,32-34H,1-3H3
InChIKeyZEFBTHZHRPTZFU-UHFFFAOYSA-N
MW456.59 g/mol
LogP8.12
Rot. Bonds5

About 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (PubChem CID 57382188) has the molecular formula C32H28N2O and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
PubChem CID57382188
Molecular FormulaC32H28N2O
Molecular Weight456.59 g/mol
Exact Mass456.22
IUPAC Name3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCOc1cccc(-c2ccccc2C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C32H28N2O/c1-20-30(26-15-6-8-17-28(26)33-20)32(31-21(2)34-29-18-9-7-16-27(29)31)25-14-5-4-13-24(25)22-11-10-12-23(19-22)35-3/h4-19,32-34H,1-3H3
InChIKeyZEFBTHZHRPTZFU-UHFFFAOYSA-N
XLogP8.12
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole
CID 71497904
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918
2-[hydroxy-(2-methyl-1H-indol-3-yl)methyl]-6-methoxyphenol
CID 23826391
2,7-bis(3-methoxyphenyl)-9H-carbazole
CID 141312734
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
CID 11611112
3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 4198221
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (CID 57382188) is 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is COc1cccc(-c2ccccc2C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The InChIKey is ZEFBTHZHRPTZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O/c1-20-30(26-15-6-8-17-28(26)33-20)32(31-21(2)34-29-18-9-7-16-27(29)31)25-14-5-4-13-24(25)22-11-10-12-23(19-22)35-3/h4-19,32-34H,1-3H3.
What are the key properties of 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole has a molecular weight of 456.59 g/mol, XLogP of 8.12, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)phenyl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 57382188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).