4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione

C46H32N2O2 — CID 134234238

IUPAC4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESCc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c12
InChIInChI=1S/C46H32N2O2/c1-29-13-6-8-17-34(29)36-19-10-21-38-39-22-11-20-37(35-18-9-7-14-30(35)2)44(39)48(43(36)38)41-24-12-23-40-42(41)46(50)47(45(40)49)33-27-25-32(26-28-33)31-15-4-3-5-16-31/h3-28H,1-2H3
InChIKeyDBEXFBZDZCFDAN-UHFFFAOYSA-N
MW644.77 g/mol
LogP11.20
Rot. Bonds5

About 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione

4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234238) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
PubChem CID134234238
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC Name4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESCc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c12
InChIInChI=1S/C46H32N2O2/c1-29-13-6-8-17-34(29)36-19-10-21-38-39-22-11-20-37(35-18-9-7-14-30(35)2)44(39)48(43(36)38)41-24-12-23-40-42(41)46(50)47(45(40)49)33-27-25-32(26-28-33)31-15-4-3-5-16-31/h3-28H,1-2H3
InChIKeyDBEXFBZDZCFDAN-UHFFFAOYSA-N
XLogP11.20
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 511.20
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-(1,8-dimethylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione;2-methylprop-1-ene
CID 142280817
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 134234291
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 159890371
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
CID 142280546
4-[1,8-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 158958228
4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane
CID 142280762
2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione
CID 134234109
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione
CID 134241199

Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (CID 134234238) is 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is Cc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c12.
What is the InChIKey of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The InChIKey is DBEXFBZDZCFDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-29-13-6-8-17-34(29)36-19-10-21-38-39-22-11-20-37(35-18-9-7-14-30(35)2)44(39)48(43(36)38)41-24-12-23-40-42(41)46(50)47(45(40)49)33-27-25-32(26-28-33)31-15-4-3-5-16-31/h3-28H,1-2H3.
What are the key properties of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione has a molecular weight of 644.77 g/mol, XLogP of 11.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).