4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

C50H40N2O2 — CID 134234441

IUPAC4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)c(C)c1
InChIInChI=1S/C50H40N2O2/c1-29-23-31(3)46(32(4)24-29)36-19-21-43-40(27-36)41-28-37(47-33(5)25-30(2)26-34(47)6)20-22-44(41)51(43)45-18-12-16-39-48(45)50(54)52(49(39)53)42-17-11-10-15-38(42)35-13-8-7-9-14-35/h7-28H,1-6H3
InChIKeyBJYHAVZSUJCPEX-UHFFFAOYSA-N
MW700.88 g/mol
LogP12.44
Rot. Bonds5

About 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234441) has the molecular formula C50H40N2O2 and a molecular weight of 700.88 g/mol. Its IUPAC name is 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID134234441
Molecular FormulaC50H40N2O2
Molecular Weight700.88 g/mol
Exact Mass700.31
IUPAC Name4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)c(C)c1
InChIInChI=1S/C50H40N2O2/c1-29-23-31(3)46(32(4)24-29)36-19-21-43-40(27-36)41-28-37(47-33(5)25-30(2)26-34(47)6)20-22-44(41)51(43)45-18-12-16-39-48(45)50(54)52(49(39)53)42-17-11-10-15-38(42)35-13-8-7-9-14-35/h7-28H,1-6H3
InChIKeyBJYHAVZSUJCPEX-UHFFFAOYSA-N
XLogP12.44
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 512.44
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

2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
CID 142280707
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134240974
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234566
2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
CID 159839798
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
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134234299
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
4-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 142280807
2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134235066

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (CID 134234441) is 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)c(C)c1.
What is the InChIKey of 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is BJYHAVZSUJCPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2O2/c1-29-23-31(3)46(32(4)24-29)36-19-21-43-40(27-36)41-28-37(47-33(5)25-30(2)26-34(47)6)20-22-44(41)51(43)45-18-12-16-39-48(45)50(54)52(49(39)53)42-17-11-10-15-38(42)35-13-8-7-9-14-35/h7-28H,1-6H3.
What are the key properties of 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione has a molecular weight of 700.88 g/mol, XLogP of 12.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).