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

C41H30N2 — CID 52947066

IUPAC2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole
SMILESc1ccc(-c2ccc(C(c3c(-c4ccccc4)[nH]c4ccccc34)c3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C41H30N2/c1-4-14-28(15-5-1)29-24-26-30(27-25-29)37(38-33-20-10-12-22-35(33)42-40(38)31-16-6-2-7-17-31)39-34-21-11-13-23-36(34)43-41(39)32-18-8-3-9-19-32/h1-27,37,42-43H
InChIKeyIKPYBBDJQGVJQG-UHFFFAOYSA-N
MW550.71 g/mol
LogP10.83
Rot. Bonds6

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

2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole (PubChem CID 52947066) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole
PubChem CID52947066
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole
SMILESc1ccc(-c2ccc(C(c3c(-c4ccccc4)[nH]c4ccccc34)c3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C41H30N2/c1-4-14-28(15-5-1)29-24-26-30(27-25-29)37(38-33-20-10-12-22-35(33)42-40(38)31-16-6-2-7-17-31)39-34-21-11-13-23-36(34)43-41(39)32-18-8-3-9-19-32/h1-27,37,42-43H
InChIKeyIKPYBBDJQGVJQG-UHFFFAOYSA-N
XLogP10.83
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 510.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole?
The IUPAC name of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole (CID 52947066) is 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole.
What is the SMILES notation for 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole?
The canonical SMILES for 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole is c1ccc(-c2ccc(C(c3c(-c4ccccc4)[nH]c4ccccc34)c3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole?
The InChIKey is IKPYBBDJQGVJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-4-14-28(15-5-1)29-24-26-30(27-25-29)37(38-33-20-10-12-22-35(33)42-40(38)31-16-6-2-7-17-31)39-34-21-11-13-23-36(34)43-41(39)32-18-8-3-9-19-32/h1-27,37,42-43H.
What are the key properties of 2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole?
2-phenyl-3-[(2-phenyl-1H-indol-3-yl)-(4-phenylphenyl)methyl]-1H-indole has a molecular weight of 550.71 g/mol, XLogP of 10.83, 6 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)-(4-phenylphenyl)methyl]-1H-indole is sourced from PubChem (CID 52947066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).