9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

C35H26N4 — CID 134472338

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H26N4/c1-23-17-19-31-28(21-23)29-22-24(2)18-20-32(29)39(31)30-16-10-9-15-27(30)35-37-33(25-11-5-3-6-12-25)36-34(38-35)26-13-7-4-8-14-26/h3-22H,1-2H3
InChIKeyXYBXLROVOXUGPN-UHFFFAOYSA-N
MW502.62 g/mol
LogP8.59
Rot. Bonds4

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 134472338) has the molecular formula C35H26N4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID134472338
Molecular FormulaC35H26N4
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H26N4/c1-23-17-19-31-28(21-23)29-22-24(2)18-20-32(29)39(31)30-16-10-9-15-27(30)35-37-33(25-11-5-3-6-12-25)36-34(38-35)26-13-7-4-8-14-26/h3-22H,1-2H3
InChIKeyXYBXLROVOXUGPN-UHFFFAOYSA-N
XLogP8.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 134472338) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is XYBXLROVOXUGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4/c1-23-17-19-31-28(21-23)29-22-24(2)18-20-32(29)39(31)30-16-10-9-15-27(30)35-37-33(25-11-5-3-6-12-25)36-34(38-35)26-13-7-4-8-14-26/h3-22H,1-2H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 502.62 g/mol, XLogP of 8.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 134472338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).