4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

C43H29N5O2 — CID 134235007

IUPAC4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESCc1nc(C)nc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c23)n1
InChIInChI=1S/C43H29N5O2/c1-26-44-27(2)46-41(45-26)36-20-11-18-34-33-17-9-10-21-37(33)48(40(34)36)38-22-12-19-35-39(38)43(50)47(42(35)49)32-24-30(28-13-5-3-6-14-28)23-31(25-32)29-15-7-4-8-16-29/h3-25H,1-2H3
InChIKeyHJQURBHVEGWUER-UHFFFAOYSA-N
MW647.74 g/mol
LogP9.39
Rot. Bonds5

About 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134235007) has the molecular formula C43H29N5O2 and a molecular weight of 647.74 g/mol. Its IUPAC name is 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
PubChem CID134235007
Molecular FormulaC43H29N5O2
Molecular Weight647.74 g/mol
Exact Mass647.23
IUPAC Name4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESCc1nc(C)nc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c23)n1
InChIInChI=1S/C43H29N5O2/c1-26-44-27(2)46-41(45-26)36-20-11-18-34-33-17-9-10-21-37(33)48(40(34)36)38-22-12-19-35-39(38)43(50)47(42(35)49)32-24-30(28-13-5-3-6-14-28)23-31(25-32)29-15-7-4-8-16-29/h3-25H,1-2H3
InChIKeyHJQURBHVEGWUER-UHFFFAOYSA-N
XLogP9.39
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.74
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234566
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 134235015
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 134240983
4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane
CID 142280762
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
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-(2,3-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
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
CID 142280546

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (CID 134235007) is 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is Cc1nc(C)nc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c23)n1.
What is the InChIKey of 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is HJQURBHVEGWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5O2/c1-26-44-27(2)46-41(45-26)36-20-11-18-34-33-17-9-10-21-37(33)48(40(34)36)38-22-12-19-35-39(38)43(50)47(42(35)49)32-24-30(28-13-5-3-6-14-28)23-31(25-32)29-15-7-4-8-16-29/h3-25H,1-2H3.
What are the key properties of 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 647.74 g/mol, XLogP of 9.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134235007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).