4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C52H36N2O2 — CID 134234482

IUPAC4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)cc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c1
InChIInChI=1S/C52H36N2O2/c1-33-28-34(2)30-39(29-33)40-23-14-24-42-41-22-12-13-26-46(41)53(49(40)42)47-27-15-25-43-48(47)52(56)54(51(43)55)50-44(36-18-8-4-9-19-36)31-38(35-16-6-3-7-17-35)32-45(50)37-20-10-5-11-21-37/h3-32H,1-2H3
InChIKeyHOFIWXGSAONULV-UHFFFAOYSA-N
MW720.87 g/mol
LogP12.87
Rot. Bonds6

About 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 134234482) has the molecular formula C52H36N2O2 and a molecular weight of 720.87 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
PubChem CID134234482
Molecular FormulaC52H36N2O2
Molecular Weight720.87 g/mol
Exact Mass720.28
IUPAC Name4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)cc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c1
InChIInChI=1S/C52H36N2O2/c1-33-28-34(2)30-39(29-33)40-23-14-24-42-41-22-12-13-26-46(41)53(49(40)42)47-27-15-25-43-48(47)52(56)54(51(43)55)50-44(36-18-8-4-9-19-36)31-38(35-16-6-3-7-17-35)32-45(50)37-20-10-5-11-21-37/h3-32H,1-2H3
InChIKeyHOFIWXGSAONULV-UHFFFAOYSA-N
XLogP12.87
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 512.87
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-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-[1-(4-isocyanophenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158897469
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234597
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione
CID 134234109
4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 157465983
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-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134241727
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158623513
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
4-(1,8-ditert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280870

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 134234482) is 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is Cc1cc(C)cc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c1.
What is the InChIKey of 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The InChIKey is HOFIWXGSAONULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2/c1-33-28-34(2)30-39(29-33)40-23-14-24-42-41-22-12-13-26-46(41)53(49(40)42)47-27-15-25-43-48(47)52(56)54(51(43)55)50-44(36-18-8-4-9-19-36)31-38(35-16-6-3-7-17-35)32-45(50)37-20-10-5-11-21-37/h3-32H,1-2H3.
What are the key properties of 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 720.87 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).