4-(1H-indol-3-yl)-2-phenylquinoline

C23H16N2 — CID 54613197

IUPAC4-(1H-indol-3-yl)-2-phenylquinoline
SMILESc1ccc(-c2cc(-c3c[nH]c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C23H16N2/c1-2-8-16(9-3-1)23-14-19(17-10-5-7-13-22(17)25-23)20-15-24-21-12-6-4-11-18(20)21/h1-15,24H
InChIKeyIODRNTMDUHQZQJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.05
Rot. Bonds2

About 4-(1H-indol-3-yl)-2-phenylquinoline

4-(1H-indol-3-yl)-2-phenylquinoline (PubChem CID 54613197) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-phenylquinoline.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-phenylquinoline
PubChem CID54613197
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name4-(1H-indol-3-yl)-2-phenylquinoline
SMILESc1ccc(-c2cc(-c3c[nH]c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C23H16N2/c1-2-8-16(9-3-1)23-14-19(17-10-5-7-13-22(17)25-23)20-15-24-21-12-6-4-11-18(20)21/h1-15,24H
InChIKeyIODRNTMDUHQZQJ-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.05
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
2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
CID 171343468
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
3-pyridin-4-yl-1H-indole
CID 159430533
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol
CID 69344223
3-(1H-indol-3-yl)aniline
CID 82395331
6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
CID 71482052
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 144941135
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-phenylquinoline?
The IUPAC name of 4-(1H-indol-3-yl)-2-phenylquinoline (CID 54613197) is 4-(1H-indol-3-yl)-2-phenylquinoline.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-phenylquinoline?
The canonical SMILES for 4-(1H-indol-3-yl)-2-phenylquinoline is c1ccc(-c2cc(-c3c[nH]c4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-phenylquinoline?
The InChIKey is IODRNTMDUHQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-2-8-16(9-3-1)23-14-19(17-10-5-7-13-22(17)25-23)20-15-24-21-12-6-4-11-18(20)21/h1-15,24H.
What are the key properties of 4-(1H-indol-3-yl)-2-phenylquinoline?
4-(1H-indol-3-yl)-2-phenylquinoline has a molecular weight of 320.40 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-phenylquinoline is sourced from PubChem (CID 54613197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).