6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole

C31H26N2 — CID 166069538

IUPAC6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
SMILESCc1ccc2c(Cc3c(-c4ccccc4)[nH]c4cc(C)ccc34)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C31H26N2/c1-20-13-15-24-26(30(32-28(24)17-20)22-9-5-3-6-10-22)19-27-25-16-14-21(2)18-29(25)33-31(27)23-11-7-4-8-12-23/h3-18,32-33H,19H2,1-2H3
InChIKeyJUQSSYMVUPQKQN-UHFFFAOYSA-N
MW426.56 g/mol
LogP8.19
Rot. Bonds4

About 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole

6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole (PubChem CID 166069538) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
PubChem CID166069538
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
SMILESCc1ccc2c(Cc3c(-c4ccccc4)[nH]c4cc(C)ccc34)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C31H26N2/c1-20-13-15-24-26(30(32-28(24)17-20)22-9-5-3-6-10-22)19-27-25-16-14-21(2)18-29(25)33-31(27)23-11-7-4-8-12-23/h3-18,32-33H,19H2,1-2H3
InChIKeyJUQSSYMVUPQKQN-UHFFFAOYSA-N
XLogP8.19
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
The IUPAC name of 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole (CID 166069538) is 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole.
What is the SMILES notation for 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
The canonical SMILES for 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole is Cc1ccc2c(Cc3c(-c4ccccc4)[nH]c4cc(C)ccc34)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
The InChIKey is JUQSSYMVUPQKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-20-13-15-24-26(30(32-28(24)17-20)22-9-5-3-6-10-22)19-27-25-16-14-21(2)18-29(25)33-31(27)23-11-7-4-8-12-23/h3-18,32-33H,19H2,1-2H3.
What are the key properties of 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole has a molecular weight of 426.56 g/mol, XLogP of 8.19, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole is sourced from PubChem (CID 166069538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).