7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

C46H34N2O2 — CID 166989754

IUPAC7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5O)c23)c(C)c1
InChIInChI=1S/C46H34N2O2/c1-29-23-25-34(30(2)27-29)37-18-11-19-38-36-17-9-10-21-40(36)47(44(37)38)41-22-12-20-39-43(41)46(50)48(45(39)49)42-28-33(31-13-5-3-6-14-31)24-26-35(42)32-15-7-4-8-16-32/h3-28,45,49H,1-2H3
InChIKeyXYIHZBTZNDFKAC-UHFFFAOYSA-N
MW646.79 g/mol
LogP11.05
Rot. Bonds5

About 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 166989754) has the molecular formula C46H34N2O2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID166989754
Molecular FormulaC46H34N2O2
Molecular Weight646.79 g/mol
Exact Mass646.26
IUPAC Name7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5O)c23)c(C)c1
InChIInChI=1S/C46H34N2O2/c1-29-23-25-34(30(2)27-29)37-18-11-19-38-36-17-9-10-21-40(36)47(44(37)38)41-22-12-20-39-43(41)46(50)48(45(39)49)42-28-33(31-13-5-3-6-14-31)24-26-35(42)32-15-7-4-8-16-32/h3-28,45,49H,1-2H3
InChIKeyXYIHZBTZNDFKAC-UHFFFAOYSA-N
XLogP11.05
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989740
7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134241006
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
4-[1,8-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 158958228
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 159890371
11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione
CID 134241199
6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
CID 134235115

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 166989754) is 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5O)c23)c(C)c1.
What is the InChIKey of 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is XYIHZBTZNDFKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O2/c1-29-23-25-34(30(2)27-29)37-18-11-19-38-36-17-9-10-21-40(36)47(44(37)38)41-22-12-20-39-43(41)46(50)48(45(39)49)42-28-33(31-13-5-3-6-14-31)24-26-35(42)32-15-7-4-8-16-32/h3-28,45,49H,1-2H3.
What are the key properties of 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 646.79 g/mol, XLogP of 11.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 166989754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).