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

C38H25N3O2 — CID 134234921

IUPAC4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESCc1cnccc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c2c1
InChIInChI=1S/C38H25N3O2/c1-24-23-39-21-20-29(24)27-16-19-31-30-10-5-6-12-33(30)41(35(31)22-27)34-13-7-11-32-36(34)38(43)40(37(32)42)28-17-14-26(15-18-28)25-8-3-2-4-9-25/h2-23H,1H3
InChIKeyMGCISSSBYGOTHB-UHFFFAOYSA-N
MW555.64 g/mol
LogP8.62
Rot. Bonds4

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

4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234921) has the molecular formula C38H25N3O2 and a molecular weight of 555.64 g/mol. Its IUPAC name is 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
PubChem CID134234921
Molecular FormulaC38H25N3O2
Molecular Weight555.64 g/mol
Exact Mass555.19
IUPAC Name4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESCc1cnccc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c2c1
InChIInChI=1S/C38H25N3O2/c1-24-23-39-21-20-29(24)27-16-19-31-30-10-5-6-12-33(30)41(35(31)22-27)34-13-7-11-32-36(34)38(43)40(37(32)42)28-17-14-26(15-18-28)25-8-3-2-4-9-25/h2-23H,1H3
InChIKeyMGCISSSBYGOTHB-UHFFFAOYSA-N
XLogP8.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234561
4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234312
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
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
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
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
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-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234085
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;4-(3,6-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;2-phenyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-phenyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 158393453

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (CID 134234921) is 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is Cc1cnccc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4=O)c2c1.
What is the InChIKey of 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The InChIKey is MGCISSSBYGOTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O2/c1-24-23-39-21-20-29(24)27-16-19-31-30-10-5-6-12-33(30)41(35(31)22-27)34-13-7-11-32-36(34)38(43)40(37(32)42)28-17-14-26(15-18-28)25-8-3-2-4-9-25/h2-23H,1H3.
What are the key properties of 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione has a molecular weight of 555.64 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).