4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

C50H34N4O2 — CID 134234561

IUPAC4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESCc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3cc(-c5ccccc5)cc(-c5ccccc5)c3)C4=O)c2c1
InChIInChI=1S/C50H34N4O2/c1-31-29-51-22-20-40(31)35-16-18-42-43-19-17-36(41-21-23-52-30-32(41)2)28-47(43)54(46(42)27-35)45-15-9-14-44-48(45)50(56)53(49(44)55)39-25-37(33-10-5-3-6-11-33)24-38(26-39)34-12-7-4-8-13-34/h3-30H,1-2H3
InChIKeyPYIRTNBZYXGKDD-UHFFFAOYSA-N
MW722.85 g/mol
LogP11.66
Rot. Bonds6

About 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134234561) has the molecular formula C50H34N4O2 and a molecular weight of 722.85 g/mol. Its IUPAC name is 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
PubChem CID134234561
Molecular FormulaC50H34N4O2
Molecular Weight722.85 g/mol
Exact Mass722.27
IUPAC Name4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESCc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3cc(-c5ccccc5)cc(-c5ccccc5)c3)C4=O)c2c1
InChIInChI=1S/C50H34N4O2/c1-31-29-51-22-20-40(31)35-16-18-42-43-19-17-36(41-21-23-52-30-32(41)2)28-47(43)54(46(42)27-35)45-15-9-14-44-48(45)50(56)53(49(44)55)39-25-37(33-10-5-3-6-11-33)24-38(26-39)34-12-7-4-8-13-34/h3-30H,1-2H3
InChIKeyPYIRTNBZYXGKDD-UHFFFAOYSA-N
XLogP11.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.85
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione with MolForge

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Related Compounds

4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234085
4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234312
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
2-(2,3-diphenylphenyl)-4-(1,8-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-(3,6-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 160733873
2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 134241101
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (CID 134234561) is 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is Cc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3cc(-c5ccccc5)cc(-c5ccccc5)c3)C4=O)c2c1.
What is the InChIKey of 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is PYIRTNBZYXGKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O2/c1-31-29-51-22-20-40(31)35-16-18-42-43-19-17-36(41-21-23-52-30-32(41)2)28-47(43)54(46(42)27-35)45-15-9-14-44-48(45)50(56)53(49(44)55)39-25-37(33-10-5-3-6-11-33)24-38(26-39)34-12-7-4-8-13-34/h3-30H,1-2H3.
What are the key properties of 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 722.85 g/mol, XLogP of 11.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).