4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene

C38H32N2O2 — CID 142280817

IUPAC4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene
SMILESC=C(C)C.Cc1cccc2c3cccc(C)c3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c12
InChIInChI=1S/C34H24N2O2.C4H8/c1-21-9-6-13-26-27-14-7-10-22(2)32(27)36(31(21)26)29-16-8-15-28-30(29)34(38)35(33(28)37)25-19-17-24(18-20-25)23-11-4-3-5-12-23;1-4(2)3/h3-20H,1-2H3;1H2,2-3H3
InChIKeyBXPPOECQDJYYAH-UHFFFAOYSA-N
MW548.69 g/mol
LogP9.45
Rot. Bonds3

About 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene

4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene (PubChem CID 142280817) has the molecular formula C38H32N2O2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene.

Molecular Properties

Compound Name4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene
PubChem CID142280817
Molecular FormulaC38H32N2O2
Molecular Weight548.69 g/mol
Exact Mass548.25
IUPAC Name4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene
SMILESC=C(C)C.Cc1cccc2c3cccc(C)c3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c12
InChIInChI=1S/C34H24N2O2.C4H8/c1-21-9-6-13-26-27-14-7-10-22(2)32(27)36(31(21)26)29-16-8-15-28-30(29)34(38)35(33(28)37)25-19-17-24(18-20-25)23-11-4-3-5-12-23;1-4(2)3/h3-20H,1-2H3;1H2,2-3H3
InChIKeyBXPPOECQDJYYAH-UHFFFAOYSA-N
XLogP9.45
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene?
The IUPAC name of 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene (CID 142280817) is 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene.
What is the SMILES notation for 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene?
The canonical SMILES for 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene is C=C(C)C.Cc1cccc2c3cccc(C)c3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c12.
What is the InChIKey of 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene?
The InChIKey is BXPPOECQDJYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O2.C4H8/c1-21-9-6-13-26-27-14-7-10-22(2)32(27)36(31(21)26)29-16-8-15-28-30(29)34(38)35(33(28)37)25-19-17-24(18-20-25)23-11-4-3-5-12-23;1-4(2)3/h3-20H,1-2H3;1H2,2-3H3.
What are the key properties of 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene?
4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene has a molecular weight of 548.69 g/mol, XLogP of 9.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene is sourced from PubChem (CID 142280817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).