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

C22H16N2 — CID 175007681

IUPAC3-[4-(1H-indol-3-yl)phenyl]-1H-indole
SMILESc1ccc2c(-c3ccc(-c4c[nH]c5ccccc45)cc3)c[nH]c2c1
InChIInChI=1S/C22H16N2/c1-3-7-21-17(5-1)19(13-23-21)15-9-11-16(12-10-15)20-14-24-22-8-4-2-6-18(20)22/h1-14,23-24H
InChIKeyKHFABYPVGCSYNY-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.98
Rot. Bonds2

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

3-[4-(1H-indol-3-yl)phenyl]-1H-indole (PubChem CID 175007681) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-yl)phenyl]-1H-indole.

Molecular Properties

Compound Name3-[4-(1H-indol-3-yl)phenyl]-1H-indole
PubChem CID175007681
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name3-[4-(1H-indol-3-yl)phenyl]-1H-indole
SMILESc1ccc2c(-c3ccc(-c4c[nH]c5ccccc45)cc3)c[nH]c2c1
InChIInChI=1S/C22H16N2/c1-3-7-21-17(5-1)19(13-23-21)15-9-11-16(12-10-15)20-14-24-22-8-4-2-6-18(20)22/h1-14,23-24H
InChIKeyKHFABYPVGCSYNY-UHFFFAOYSA-N
XLogP5.98
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

methane;3-phenyl-1H-indole
CID 167711687
3-pyridin-4-yl-1H-indole
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3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
3-selenophen-3-yl-1H-indole
CID 172687762
3-(4-methylphenyl)-1H-quinolin-4-one
CID 15930283
3-(1H-indol-3-yl)aniline
CID 82395331
4-(1H-indol-3-yl)-N-phenylbenzamide
CID 146637660
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
2-(1H-indol-3-yl)aniline
CID 25210227
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole
CID 126620559
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-yl)phenyl]-1H-indole?
The IUPAC name of 3-[4-(1H-indol-3-yl)phenyl]-1H-indole (CID 175007681) is 3-[4-(1H-indol-3-yl)phenyl]-1H-indole.
What is the SMILES notation for 3-[4-(1H-indol-3-yl)phenyl]-1H-indole?
The canonical SMILES for 3-[4-(1H-indol-3-yl)phenyl]-1H-indole is c1ccc2c(-c3ccc(-c4c[nH]c5ccccc45)cc3)c[nH]c2c1.
What is the InChIKey of 3-[4-(1H-indol-3-yl)phenyl]-1H-indole?
The InChIKey is KHFABYPVGCSYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-3-7-21-17(5-1)19(13-23-21)15-9-11-16(12-10-15)20-14-24-22-8-4-2-6-18(20)22/h1-14,23-24H.
What are the key properties of 3-[4-(1H-indol-3-yl)phenyl]-1H-indole?
3-[4-(1H-indol-3-yl)phenyl]-1H-indole has a molecular weight of 308.38 g/mol, XLogP of 5.98, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-yl)phenyl]-1H-indole is sourced from PubChem (CID 175007681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).