2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile

C27H17N3 — CID 102483282

IUPAC2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3ccccc23)nc2c(c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C27H17N3/c28-15-21-25(17-8-2-1-3-9-17)26-19-11-5-4-10-18(19)14-24(26)30-27(21)22-16-29-23-13-7-6-12-20(22)23/h1-13,16,29H,14H2
InChIKeyZWGMASODSPGTNB-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.34
Rot. Bonds2

About 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile

2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile (PubChem CID 102483282) has the molecular formula C27H17N3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile
PubChem CID102483282
Molecular FormulaC27H17N3
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3ccccc23)nc2c(c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C27H17N3/c28-15-21-25(17-8-2-1-3-9-17)26-19-11-5-4-10-18(19)14-24(26)30-27(21)22-16-29-23-13-7-6-12-20(22)23/h1-13,16,29H,14H2
InChIKeyZWGMASODSPGTNB-UHFFFAOYSA-N
XLogP6.34
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
CID 71482052
2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
CID 171343468
4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
CID 136854497
N,N-dimethylformamide;6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139060110
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
methane;3-phenyl-1H-indole
CID 167711687
7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
CID 86098015
4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 71481732
2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine
CID 139310265
2-(1H-indol-3-yl)-3H-indole
CID 163416742
4-(3,4-dichlorophenyl)-2-(1H-indol-3-yl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 137254118

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile (CID 102483282) is 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile is N#Cc1c(-c2c[nH]c3ccccc23)nc2c(c1-c1ccccc1)-c1ccccc1C2.
What is the InChIKey of 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile?
The InChIKey is ZWGMASODSPGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3/c28-15-21-25(17-8-2-1-3-9-17)26-19-11-5-4-10-18(19)14-24(26)30-27(21)22-16-29-23-13-7-6-12-20(22)23/h1-13,16,29H,14H2.
What are the key properties of 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile?
2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile has a molecular weight of 383.45 g/mol, XLogP of 6.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile is sourced from PubChem (CID 102483282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).