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

C43H29N5O2 — CID 134240983

IUPAC4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4-c4ccccc4)C5=O)c3c2)n1
InChIInChI=1S/C43H29N5O2/c1-26-44-27(2)46-41(45-26)30-23-24-33-32-17-9-10-20-35(32)47(38(33)25-30)37-22-12-19-34-40(37)43(50)48(42(34)49)36-21-11-18-31(28-13-5-3-6-14-28)39(36)29-15-7-4-8-16-29/h3-25H,1-2H3
InChIKeyXKXJGTOWCDGCSZ-UHFFFAOYSA-N
MW647.74 g/mol
LogP9.39
Rot. Bonds5

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

4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134240983) has the molecular formula C43H29N5O2 and a molecular weight of 647.74 g/mol. Its IUPAC name is 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
PubChem CID134240983
Molecular FormulaC43H29N5O2
Molecular Weight647.74 g/mol
Exact Mass647.23
IUPAC Name4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4-c4ccccc4)C5=O)c3c2)n1
InChIInChI=1S/C43H29N5O2/c1-26-44-27(2)46-41(45-26)30-23-24-33-32-17-9-10-20-35(32)47(38(33)25-30)37-22-12-19-34-40(37)43(50)48(42(34)49)36-21-11-18-31(28-13-5-3-6-14-28)39(36)29-15-7-4-8-16-29/h3-25H,1-2H3
InChIKeyXKXJGTOWCDGCSZ-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-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 134235015
4-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 142280807
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-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134235066
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134235007
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-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 157124041
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
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-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione (CID 134240983) is 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione is Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4-c4ccccc4)C5=O)c3c2)n1.
What is the InChIKey of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is XKXJGTOWCDGCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5O2/c1-26-44-27(2)46-41(45-26)30-23-24-33-32-17-9-10-20-35(32)47(38(33)25-30)37-22-12-19-34-40(37)43(50)48(42(34)49)36-21-11-18-31(28-13-5-3-6-14-28)39(36)29-15-7-4-8-16-29/h3-25H,1-2H3.
What are the key properties of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-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-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134240983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).