1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole

C32H21N3 — CID 140902398

IUPAC1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3c(-c5cc6ccccc6cn5)cccc34)n2)cc1
InChIInChI=1S/C32H21N3/c1-2-9-21(10-3-1)28-17-8-18-29(34-28)26-15-6-13-24-25-14-7-16-27(32(25)35-31(24)26)30-19-22-11-4-5-12-23(22)20-33-30/h1-20,35H
InChIKeyACRSZJBVYMCVJP-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.27
Rot. Bonds3

About 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole

1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole (PubChem CID 140902398) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole.

Molecular Properties

Compound Name1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole
PubChem CID140902398
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3c(-c5cc6ccccc6cn5)cccc34)n2)cc1
InChIInChI=1S/C32H21N3/c1-2-9-21(10-3-1)28-17-8-18-29(34-28)26-15-6-13-24-25-14-7-16-27(32(25)35-31(24)26)30-19-22-11-4-5-12-23(22)20-33-30/h1-20,35H
InChIKeyACRSZJBVYMCVJP-UHFFFAOYSA-N
XLogP8.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
CID 58234805
1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
CID 140902230
1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole
CID 164788747
3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-(6-phenylpyrimidin-4-yl)-9H-carbazole
CID 140902431
3-[7-(3-phenylphenyl)dibenzothiophen-4-yl]isoquinoline
CID 166577401
3,6-difluoro-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902302
3-azulen-2-ylisoquinoline
CID 139326489
3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902252
3-[6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]pyrimidin-4-yl]isoquinoline
CID 156575031
3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 118582488
6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine
CID 122665305

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole?
The IUPAC name of 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole (CID 140902398) is 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole.
What is the SMILES notation for 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole?
The canonical SMILES for 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole is c1ccc(-c2cccc(-c3cccc4c3[nH]c3c(-c5cc6ccccc6cn5)cccc34)n2)cc1.
What is the InChIKey of 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole?
The InChIKey is ACRSZJBVYMCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-9-21(10-3-1)28-17-8-18-29(34-28)26-15-6-13-24-25-14-7-16-27(32(25)35-31(24)26)30-19-22-11-4-5-12-23(22)20-33-30/h1-20,35H.
What are the key properties of 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole?
1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole has a molecular weight of 447.54 g/mol, XLogP of 8.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole is sourced from PubChem (CID 140902398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).