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

C24H20N2O — CID 56594238

IUPAC6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5cc[nH]c5c4)cc32)cc1
InChIInChI=1S/C24H20N2O/c1-27-22-8-2-17(3-9-22)16-26-13-11-19-5-7-21(15-24(19)26)20-6-4-18-10-12-25-23(18)14-20/h2-15,25H,16H2,1H3
InChIKeyVAOHKVYDKGEHRW-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.85
Rot. Bonds4

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

6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole (PubChem CID 56594238) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole
PubChem CID56594238
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5cc[nH]c5c4)cc32)cc1
InChIInChI=1S/C24H20N2O/c1-27-22-8-2-17(3-9-22)16-26-13-11-19-5-7-21(15-24(19)26)20-6-4-18-10-12-25-23(18)14-20/h2-15,25H,16H2,1H3
InChIKeyVAOHKVYDKGEHRW-UHFFFAOYSA-N
XLogP5.85
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole?
The IUPAC name of 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole (CID 56594238) is 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole.
What is the SMILES notation for 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole?
The canonical SMILES for 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole is COc1ccc(Cn2ccc3ccc(-c4ccc5cc[nH]c5c4)cc32)cc1.
What is the InChIKey of 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole?
The InChIKey is VAOHKVYDKGEHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-27-22-8-2-17(3-9-22)16-26-13-11-19-5-7-21(15-24(19)26)20-6-4-18-10-12-25-23(18)14-20/h2-15,25H,16H2,1H3.
What are the key properties of 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole?
6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole has a molecular weight of 352.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-6-yl)-1-[(4-methoxyphenyl)methyl]indole is sourced from PubChem (CID 56594238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).