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

C40H30N2O2 — CID 166989740

IUPAC7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1ccc2c3ccc(C)cc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cccc3-c3ccccc3)C4O)c2c1
InChIInChI=1S/C40H30N2O2/c1-25-19-21-31-32-22-20-26(2)24-36(32)41(35(31)23-25)34-18-10-17-33-37(34)40(44)42(39(33)43)38-29(27-11-5-3-6-12-27)15-9-16-30(38)28-13-7-4-8-14-28/h3-24,39,43H,1-2H3
InChIKeySBWDNQBGKYMQTJ-UHFFFAOYSA-N
MW570.69 g/mol
LogP9.39
Rot. Bonds4

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

7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 166989740) has the molecular formula C40H30N2O2 and a molecular weight of 570.69 g/mol. Its IUPAC name is 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID166989740
Molecular FormulaC40H30N2O2
Molecular Weight570.69 g/mol
Exact Mass570.23
IUPAC Name7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1ccc2c3ccc(C)cc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cccc3-c3ccccc3)C4O)c2c1
InChIInChI=1S/C40H30N2O2/c1-25-19-21-31-32-22-20-26(2)24-36(32)41(35(31)23-25)34-18-10-17-33-37(34)40(44)42(39(33)43)38-29(27-11-5-3-6-12-27)15-9-16-30(38)28-13-7-4-8-14-28/h3-24,39,43H,1-2H3
InChIKeySBWDNQBGKYMQTJ-UHFFFAOYSA-N
XLogP9.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134241006
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
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-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234671
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241213
7-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241228
6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
CID 134235115
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234638

Frequently Asked Questions

What is the IUPAC name of 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 166989740) is 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is Cc1ccc2c3ccc(C)cc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cccc3-c3ccccc3)C4O)c2c1.
What is the InChIKey of 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is SBWDNQBGKYMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2O2/c1-25-19-21-31-32-22-20-26(2)24-36(32)41(35(31)23-25)34-18-10-17-33-37(34)40(44)42(39(33)43)38-29(27-11-5-3-6-12-27)15-9-16-30(38)28-13-7-4-8-14-28/h3-24,39,43H,1-2H3.
What are the key properties of 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 570.69 g/mol, XLogP of 9.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 166989740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).