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

C29H22N2 — CID 11003858

IUPAC2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C29H22N2/c1-3-11-20(12-4-1)28-24(22-15-7-9-17-26(22)30-28)19-25-23-16-8-10-18-27(23)31-29(25)21-13-5-2-6-14-21/h1-18,30-31H,19H2
InChIKeyIJCZAAWBSMXPEZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.57
Rot. Bonds4

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

2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole (PubChem CID 11003858) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole
PubChem CID11003858
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C29H22N2/c1-3-11-20(12-4-1)28-24(22-15-7-9-17-26(22)30-28)19-25-23-16-8-10-18-27(23)31-29(25)21-13-5-2-6-14-21/h1-18,30-31H,19H2
InChIKeyIJCZAAWBSMXPEZ-UHFFFAOYSA-N
XLogP7.57
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 ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

Carbazole
CID 6854
3,3'-Diindolylmethane
CID 3071
7H-Dibenzo(c,g)carbazole
CID 9134
Tetrahydro-beta-carboline
CID 107838
2-Methylindole
CID 7224
LE-300
CID 4350931
2,3-Dimethylindole
CID 7053
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
Gat211
CID 4402318
4',6-Diamidino-2-Phenylindole
CID 2954
2,3-diphenyl-1H-indole
CID 77020

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole (CID 11003858) is 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole is c1ccc(-c2[nH]c3ccccc3c2Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is IJCZAAWBSMXPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-3-11-20(12-4-1)28-24(22-15-7-9-17-26(22)30-28)19-25-23-16-8-10-18-27(23)31-29(25)21-13-5-2-6-14-21/h1-18,30-31H,19H2.
What are the key properties of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole?
2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 398.51 g/mol, XLogP of 7.57, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 11003858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).