1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone

C20H14N2O — CID 139561362

IUPAC1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14N2O/c23-20(16-13-21-18-10-5-4-9-15(16)18)19-12-6-11-17(22-19)14-7-2-1-3-8-14/h1-13,21H
InChIKeyBBLPHFSOAILTMU-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.46
Rot. Bonds3

About 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone

1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone (PubChem CID 139561362) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone
PubChem CID139561362
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14N2O/c23-20(16-13-21-18-10-5-4-9-15(16)18)19-12-6-11-17(22-19)14-7-2-1-3-8-14/h1-13,21H
InChIKeyBBLPHFSOAILTMU-UHFFFAOYSA-N
XLogP4.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139560827
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
methyl N-[5-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065447
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone?
The IUPAC name of 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone (CID 139561362) is 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone?
The canonical SMILES for 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone is O=C(c1cccc(-c2ccccc2)n1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone?
The InChIKey is BBLPHFSOAILTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20(16-13-21-18-10-5-4-9-15(16)18)19-12-6-11-17(22-19)14-7-2-1-3-8-14/h1-13,21H.
What are the key properties of 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone?
1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone has a molecular weight of 298.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone is sourced from PubChem (CID 139561362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).