7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one

C44H32N4O2 — CID 134234930

IUPAC7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one
SMILESCc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4O)c2c1
InChIInChI=1S/C44H32N4O2/c1-27-25-45-21-19-32(27)30-15-17-35-36-18-16-31(33-20-22-46-26-28(33)2)24-41(36)47(40(35)23-30)39-14-8-12-37-42(39)44(50)48(43(37)49)38-13-7-6-11-34(38)29-9-4-3-5-10-29/h3-26,43,49H,1-2H3
InChIKeyXRLCUAXJPMGJQX-UHFFFAOYSA-N
MW648.77 g/mol
LogP9.84
Rot. Bonds5

About 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one

7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one (PubChem CID 134234930) has the molecular formula C44H32N4O2 and a molecular weight of 648.77 g/mol. Its IUPAC name is 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one
PubChem CID134234930
Molecular FormulaC44H32N4O2
Molecular Weight648.77 g/mol
Exact Mass648.25
IUPAC Name7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one
SMILESCc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4O)c2c1
InChIInChI=1S/C44H32N4O2/c1-27-25-45-21-19-32(27)30-15-17-35-36-18-16-31(33-20-22-46-26-28(33)2)24-41(36)47(40(35)23-30)39-14-8-12-37-42(39)44(50)48(43(37)49)38-13-7-6-11-34(38)29-9-4-3-5-10-29/h3-26,43,49H,1-2H3
InChIKeyXRLCUAXJPMGJQX-UHFFFAOYSA-N
XLogP9.84
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one?
The IUPAC name of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one (CID 134234930) is 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one is Cc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4O)c2c1.
What is the InChIKey of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one?
The InChIKey is XRLCUAXJPMGJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4O2/c1-27-25-45-21-19-32(27)30-15-17-35-36-18-16-31(33-20-22-46-26-28(33)2)24-41(36)47(40(35)23-30)39-14-8-12-37-42(39)44(50)48(43(37)49)38-13-7-6-11-34(38)29-9-4-3-5-10-29/h3-26,43,49H,1-2H3.
What are the key properties of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one?
7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one has a molecular weight of 648.77 g/mol, XLogP of 9.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 134234930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).