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

C23H18N2 — CID 629515

IUPAC2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
SMILESCc1c(-c2[nH]c3ccccc3c2-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H18N2/c1-15-17-11-5-7-13-19(17)24-22(15)23-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)25-23/h2-14,24-25H,1H3
InChIKeyQYOFWNLLJIXRPQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.29
Rot. Bonds2

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

2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole (PubChem CID 629515) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole.

Molecular Properties

Compound Name2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
PubChem CID629515
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
SMILESCc1c(-c2[nH]c3ccccc3c2-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H18N2/c1-15-17-11-5-7-13-19(17)24-22(15)23-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)25-23/h2-14,24-25H,1H3
InChIKeyQYOFWNLLJIXRPQ-UHFFFAOYSA-N
XLogP6.29
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-3-phenyl-1H-indole
CID 123796416
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
9H-carbazole;9,10-diphenylanthracene
CID 159841164
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
CID 158433984
4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
3-(3-phenyl-1H-indol-2-yl)-1H-pyridin-2-one
CID 59508067
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
methanol;3-phenyl-1H-indole-2-carbaldehyde
CID 143036487
2-methyl-1-phenyl-9H-carbazol-3-ol
CID 11097717

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole?
The IUPAC name of 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole (CID 629515) is 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole.
What is the SMILES notation for 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole?
The canonical SMILES for 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole is Cc1c(-c2[nH]c3ccccc3c2-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole?
The InChIKey is QYOFWNLLJIXRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-15-17-11-5-7-13-19(17)24-22(15)23-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)25-23/h2-14,24-25H,1H3.
What are the key properties of 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole?
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole has a molecular weight of 322.41 g/mol, XLogP of 6.29, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole is sourced from PubChem (CID 629515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).