2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole

C29H22N2 — CID 86045351

IUPAC2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
SMILESc1ccc(-c2ccc(C(c3cc4ccccc4[nH]3)c3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C29H22N2/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)29(25-19-30-27-13-7-5-11-24(25)27)28-18-23-10-4-6-12-26(23)31-28/h1-19,29-31H
InChIKeyCMWKKZOIMOZRRP-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.50
Rot. Bonds4

About 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole

2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole (PubChem CID 86045351) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
PubChem CID86045351
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
SMILESc1ccc(-c2ccc(C(c3cc4ccccc4[nH]3)c3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C29H22N2/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)29(25-19-30-27-13-7-5-11-24(25)27)28-18-23-10-4-6-12-26(23)31-28/h1-19,29-31H
InChIKeyCMWKKZOIMOZRRP-UHFFFAOYSA-N
XLogP7.50
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole?
The IUPAC name of 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole (CID 86045351) is 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole.
What is the SMILES notation for 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole?
The canonical SMILES for 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole is c1ccc(-c2ccc(C(c3cc4ccccc4[nH]3)c3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole?
The InChIKey is CMWKKZOIMOZRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)29(25-19-30-27-13-7-5-11-24(25)27)28-18-23-10-4-6-12-26(23)31-28/h1-19,29-31H.
What are the key properties of 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole?
2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole has a molecular weight of 398.51 g/mol, XLogP of 7.50, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole is sourced from PubChem (CID 86045351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).