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

C16H12N2 — CID 163416742

IUPAC2-(1H-indol-3-yl)-3H-indole
SMILESc1ccc2c(c1)CC(c1c[nH]c3ccccc13)=N2
InChIInChI=1S/C16H12N2/c1-3-7-14-11(5-1)9-16(18-14)13-10-17-15-8-4-2-6-12(13)15/h1-8,10,17H,9H2
InChIKeyAFBFQTPPHFNOLQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.84
Rot. Bonds1

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

2-(1H-indol-3-yl)-3H-indole (PubChem CID 163416742) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-3H-indole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-3H-indole
PubChem CID163416742
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name2-(1H-indol-3-yl)-3H-indole
SMILESc1ccc2c(c1)CC(c1c[nH]c3ccccc13)=N2
InChIInChI=1S/C16H12N2/c1-3-7-14-11(5-1)9-16(18-14)13-10-17-15-8-4-2-6-12(13)15/h1-8,10,17H,9H2
InChIKeyAFBFQTPPHFNOLQ-UHFFFAOYSA-N
XLogP3.84
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methane;3-phenyl-1H-indole
CID 167711687
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one
CID 137178283
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097331
CID 174027584
CID 174027584
4-[4-(1H-indol-3-yl)-2,3-dihydro-1,5-benzoxazepin-2-yl]-N,N-dimethylaniline
CID 135447802
benzene;ethane;2-phenyl-3H-indole
CID 91573421
5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazole-3-thiolate
CID 4963878
3-pyridin-4-yl-1H-indole
CID 159430533
3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
CID 145022790
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
2-(1H-indol-3-yl)aniline
CID 25210227

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-3H-indole?
The IUPAC name of 2-(1H-indol-3-yl)-3H-indole (CID 163416742) is 2-(1H-indol-3-yl)-3H-indole.
What is the SMILES notation for 2-(1H-indol-3-yl)-3H-indole?
The canonical SMILES for 2-(1H-indol-3-yl)-3H-indole is c1ccc2c(c1)CC(c1c[nH]c3ccccc13)=N2.
What is the InChIKey of 2-(1H-indol-3-yl)-3H-indole?
The InChIKey is AFBFQTPPHFNOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-3-7-14-11(5-1)9-16(18-14)13-10-17-15-8-4-2-6-12(13)15/h1-8,10,17H,9H2.
What are the key properties of 2-(1H-indol-3-yl)-3H-indole?
2-(1H-indol-3-yl)-3H-indole has a molecular weight of 232.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-3H-indole is sourced from PubChem (CID 163416742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).