7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

C50H34N2O2 — CID 134241006

IUPAC7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3c(-c4ccccc4)cccc3c3cccc(-c4ccccc4)c32)C(O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C50H34N2O2/c53-49-43-31-16-32-44(45(43)50(54)52(49)46-37(33-17-5-1-6-18-33)25-13-26-38(46)34-19-7-2-8-20-34)51-47-39(35-21-9-3-10-22-35)27-14-29-41(47)42-30-15-28-40(48(42)51)36-23-11-4-12-24-36/h1-32,49,53H
InChIKeyPQZYFPNKVCIWRK-UHFFFAOYSA-N
MW694.83 g/mol
LogP12.10
Rot. Bonds6

About 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 134241006) has the molecular formula C50H34N2O2 and a molecular weight of 694.83 g/mol. Its IUPAC name is 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID134241006
Molecular FormulaC50H34N2O2
Molecular Weight694.83 g/mol
Exact Mass694.26
IUPAC Name7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3c(-c4ccccc4)cccc3c3cccc(-c4ccccc4)c32)C(O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C50H34N2O2/c53-49-43-31-16-32-44(45(43)50(54)52(49)46-37(33-17-5-1-6-18-33)25-13-26-38(46)34-19-7-2-8-20-34)51-47-39(35-21-9-3-10-22-35)27-14-29-41(47)42-30-15-28-40(48(42)51)36-23-11-4-12-24-36/h1-32,49,53H
InChIKeyPQZYFPNKVCIWRK-UHFFFAOYSA-N
XLogP12.10
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.83
LogP ≤ 512.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989740
5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241091
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
2-(2,6-diphenylphenyl)-4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134241105
3-[7-(3-cyanophenyl)-9-[1-hydroxy-3-oxo-2-(2,4,6-triphenylphenyl)-1H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989456
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241213
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234505
4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234671
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
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-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 134241006) is 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is O=C1c2c(cccc2-n2c3c(-c4ccccc4)cccc3c3cccc(-c4ccccc4)c32)C(O)N1c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is PQZYFPNKVCIWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O2/c53-49-43-31-16-32-44(45(43)50(54)52(49)46-37(33-17-5-1-6-18-33)25-13-26-38(46)34-19-7-2-8-20-34)51-47-39(35-21-9-3-10-22-35)27-14-29-41(47)42-30-15-28-40(48(42)51)36-23-11-4-12-24-36/h1-32,49,53H.
What are the key properties of 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 694.83 g/mol, XLogP of 12.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 134241006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).