[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone

C32H26N2O2 — CID 56851767

IUPAC[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6C)c5c4)cc32)cc1
InChIInChI=1S/C32H26N2O2/c1-22-5-3-4-6-29(22)32(35)34-18-16-25-10-12-27(20-31(25)34)26-11-9-24-15-17-33(30(24)19-26)21-23-7-13-28(36-2)14-8-23/h3-20H,21H2,1-2H3
InChIKeyDFNPKJKXTLFMBO-UHFFFAOYSA-N
MW470.57 g/mol
LogP7.32
Rot. Bonds5

About [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone

[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone (PubChem CID 56851767) has the molecular formula C32H26N2O2 and a molecular weight of 470.57 g/mol. Its IUPAC name is [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone
PubChem CID56851767
Molecular FormulaC32H26N2O2
Molecular Weight470.57 g/mol
Exact Mass470.20
IUPAC Name[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6C)c5c4)cc32)cc1
InChIInChI=1S/C32H26N2O2/c1-22-5-3-4-6-29(22)32(35)34-18-16-25-10-12-27(20-31(25)34)26-11-9-24-15-17-33(30(24)19-26)21-23-7-13-28(36-2)14-8-23/h3-20H,21H2,1-2H3
InChIKeyDFNPKJKXTLFMBO-UHFFFAOYSA-N
XLogP7.32
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone (CID 56851767) is [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone is COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6C)c5c4)cc32)cc1.
What is the InChIKey of [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone?
The InChIKey is DFNPKJKXTLFMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O2/c1-22-5-3-4-6-29(22)32(35)34-18-16-25-10-12-27(20-31(25)34)26-11-9-24-15-17-33(30(24)19-26)21-23-7-13-28(36-2)14-8-23/h3-20H,21H2,1-2H3.
What are the key properties of [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone?
[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone has a molecular weight of 470.57 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 56851767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).