1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol

C24H24N2O — CID 156695044

IUPAC1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol
SMILESCCCC(O)c1c(-c2ccc(C)cc2)c2ccccc2n1-c1ccccn1
InChIInChI=1S/C24H24N2O/c1-3-8-21(27)24-23(18-14-12-17(2)13-15-18)19-9-4-5-10-20(19)26(24)22-11-6-7-16-25-22/h4-7,9-16,21,27H,3,8H2,1-2H3
InChIKeyGBWOOCVAOQPHBM-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.83
Rot. Bonds5

About 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol

1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol (PubChem CID 156695044) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol
PubChem CID156695044
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol
SMILESCCCC(O)c1c(-c2ccc(C)cc2)c2ccccc2n1-c1ccccn1
InChIInChI=1S/C24H24N2O/c1-3-8-21(27)24-23(18-14-12-17(2)13-15-18)19-9-4-5-10-20(19)26(24)22-11-6-7-16-25-22/h4-7,9-16,21,27H,3,8H2,1-2H3
InChIKeyGBWOOCVAOQPHBM-UHFFFAOYSA-N
XLogP5.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-tert-butylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-one
CID 139050275
3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one
CID 166443047
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole
CID 177434344
trimethyl-[2-(3-methyl-1-pyridin-2-ylindol-2-yl)ethyl]silane
CID 71654105
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
3-[6-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9-pyridin-2-ylcarbazol-3-yl]-N,N-bis(4-methylphenyl)aniline
CID 144565221
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
CID 132539705
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
9-pyridin-2-yl-6-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyrido[2,3-b]indole
CID 118403871
9-[4-(2-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]-3-ethenyl-6-methylcarbazole
CID 121245502

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol?
The IUPAC name of 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol (CID 156695044) is 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol.
What is the SMILES notation for 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol?
The canonical SMILES for 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol is CCCC(O)c1c(-c2ccc(C)cc2)c2ccccc2n1-c1ccccn1.
What is the InChIKey of 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol?
The InChIKey is GBWOOCVAOQPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-3-8-21(27)24-23(18-14-12-17(2)13-15-18)19-9-4-5-10-20(19)26(24)22-11-6-7-16-25-22/h4-7,9-16,21,27H,3,8H2,1-2H3.
What are the key properties of 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol?
1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol has a molecular weight of 356.47 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol is sourced from PubChem (CID 156695044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).