4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C56H38N4O2 — CID 134234312

IUPAC4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCc1cnccc1-c1ccc2c(c1)c1cc(-c3ccncc3C)ccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O
InChIInChI=1S/C56H38N4O2/c1-35-33-57-27-25-43(35)40-21-23-50-48(29-40)49-30-41(44-26-28-58-34-36(44)2)22-24-51(49)59(50)52-20-12-19-45-53(52)56(62)60(55(45)61)54-46(38-15-8-4-9-16-38)31-42(37-13-6-3-7-14-37)32-47(54)39-17-10-5-11-18-39/h3-34H,1-2H3
InChIKeyIZUBEZBDRYPVSX-UHFFFAOYSA-N
MW798.95 g/mol
LogP13.33
Rot. Bonds7

About 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 134234312) has the molecular formula C56H38N4O2 and a molecular weight of 798.95 g/mol. Its IUPAC name is 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
PubChem CID134234312
Molecular FormulaC56H38N4O2
Molecular Weight798.95 g/mol
Exact Mass798.30
IUPAC Name4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCc1cnccc1-c1ccc2c(c1)c1cc(-c3ccncc3C)ccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O
InChIInChI=1S/C56H38N4O2/c1-35-33-57-27-25-43(35)40-21-23-50-48(29-40)49-30-41(44-26-28-58-34-36(44)2)22-24-51(49)59(50)52-20-12-19-45-53(52)56(62)60(55(45)61)54-46(38-15-8-4-9-16-38)31-42(37-13-6-3-7-14-37)32-47(54)39-17-10-5-11-18-39/h3-34H,1-2H3
InChIKeyIZUBEZBDRYPVSX-UHFFFAOYSA-N
XLogP13.33
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.95
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234561
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
2-(2,6-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234558
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234597
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617
4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134240974
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

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 134234312) is 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is Cc1cnccc1-c1ccc2c(c1)c1cc(-c3ccncc3C)ccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O.
What is the InChIKey of 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The InChIKey is IZUBEZBDRYPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4O2/c1-35-33-57-27-25-43(35)40-21-23-50-48(29-40)49-30-41(44-26-28-58-34-36(44)2)22-24-51(49)59(50)52-20-12-19-45-53(52)56(62)60(55(45)61)54-46(38-15-8-4-9-16-38)31-42(37-13-6-3-7-14-37)32-47(54)39-17-10-5-11-18-39/h3-34H,1-2H3.
What are the key properties of 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 798.95 g/mol, XLogP of 13.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).