2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione

C39H26N2O2 — CID 134234109

IUPAC2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione
SMILESCc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cccc3-c3ccccc3)C4=O)c12
InChIInChI=1S/C39H26N2O2/c1-25-13-10-21-31-30-18-8-9-23-33(30)40(36(25)31)34-24-12-22-32-35(34)39(43)41(38(32)42)37-28(26-14-4-2-5-15-26)19-11-20-29(37)27-16-6-3-7-17-27/h2-24H,1H3
InChIKeyYSRIFROCGQRKIN-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.23
Rot. Bonds4

About 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione

2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 134234109) has the molecular formula C39H26N2O2 and a molecular weight of 554.65 g/mol. Its IUPAC name is 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione
PubChem CID134234109
Molecular FormulaC39H26N2O2
Molecular Weight554.65 g/mol
Exact Mass554.20
IUPAC Name2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione
SMILESCc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cccc3-c3ccccc3)C4=O)c12
InChIInChI=1S/C39H26N2O2/c1-25-13-10-21-31-30-18-8-9-23-33(30)40(36(25)31)34-24-12-22-32-35(34)39(43)41(38(32)42)37-28(26-14-4-2-5-15-26)19-11-20-29(37)27-16-6-3-7-17-27/h2-24H,1H3
InChIKeyYSRIFROCGQRKIN-UHFFFAOYSA-N
XLogP9.23
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
4-(3-tert-butylcarbazol-9-yl)-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134233934
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234597
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
2-(2,6-diphenylphenyl)-4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134241105
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 134234291
4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene
CID 142280817
4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione (CID 134234109) is 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione is Cc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cccc3-c3ccccc3)C4=O)c12.
What is the InChIKey of 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione?
The InChIKey is YSRIFROCGQRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O2/c1-25-13-10-21-31-30-18-8-9-23-33(30)40(36(25)31)34-24-12-22-32-35(34)39(43)41(38(32)42)37-28(26-14-4-2-5-15-26)19-11-20-29(37)27-16-6-3-7-17-27/h2-24H,1H3.
What are the key properties of 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione?
2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 554.65 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione is sourced from PubChem (CID 134234109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).