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

C23H18N2 — CID 68641137

IUPAC2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
SMILESCc1cccc(-c2cc3ccccc3[nH]2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C23H18N2/c1-15-7-6-10-18(21-13-16-8-2-4-11-19(16)24-21)23(15)22-14-17-9-3-5-12-20(17)25-22/h2-14,24-25H,1H3
InChIKeyAGYFARZTKLEROX-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.29
Rot. Bonds2

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

2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole (PubChem CID 68641137) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
PubChem CID68641137
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
SMILESCc1cccc(-c2cc3ccccc3[nH]2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C23H18N2/c1-15-7-6-10-18(21-13-16-8-2-4-11-19(16)24-21)23(15)22-14-17-9-3-5-12-20(17)25-22/h2-14,24-25H,1H3
InChIKeyAGYFARZTKLEROX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole?
The IUPAC name of 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole (CID 68641137) is 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole.
What is the SMILES notation for 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole?
The canonical SMILES for 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole is Cc1cccc(-c2cc3ccccc3[nH]2)c1-c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole?
The InChIKey is AGYFARZTKLEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-15-7-6-10-18(21-13-16-8-2-4-11-19(16)24-21)23(15)22-14-17-9-3-5-12-20(17)25-22/h2-14,24-25H,1H3.
What are the key properties of 2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole?
2-[2-(1H-indol-2-yl)-3-methylphenyl]-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-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole is sourced from PubChem (CID 68641137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).