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

C32H28N2O — CID 56851800

IUPAC1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6C)c5c4)cc32)cc1
InChIInChI=1S/C32H28N2O/c1-23-5-3-4-6-29(23)22-34-18-16-26-10-12-28(20-32(26)34)27-11-9-25-15-17-33(31(25)19-27)21-24-7-13-30(35-2)14-8-24/h3-20H,21-22H2,1-2H3
InChIKeyRJKDFVHXMSVOOP-UHFFFAOYSA-N
MW456.59 g/mol
LogP7.68
Rot. Bonds6

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

1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole (PubChem CID 56851800) has the molecular formula C32H28N2O and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole
PubChem CID56851800
Molecular FormulaC32H28N2O
Molecular Weight456.59 g/mol
Exact Mass456.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6C)c5c4)cc32)cc1
InChIInChI=1S/C32H28N2O/c1-23-5-3-4-6-29(23)22-34-18-16-26-10-12-28(20-32(26)34)27-11-9-25-15-17-33(31(25)19-27)21-24-7-13-30(35-2)14-8-24/h3-20H,21-22H2,1-2H3
InChIKeyRJKDFVHXMSVOOP-UHFFFAOYSA-N
XLogP7.68
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole (CID 56851800) is 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole is COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6C)c5c4)cc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole?
The InChIKey is RJKDFVHXMSVOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O/c1-23-5-3-4-6-29(23)22-34-18-16-26-10-12-28(20-32(26)34)27-11-9-25-15-17-33(31(25)19-27)21-24-7-13-30(35-2)14-8-24/h3-20H,21-22H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole?
1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole has a molecular weight of 456.59 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).