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

C36H28N4 — CID 118670814

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C36H28N4/c1-23-14-17-32-29(20-23)30-21-24(2)15-18-33(30)40(32)31-19-16-28(22-25(31)3)36-38-34(26-10-6-4-7-11-26)37-35(39-36)27-12-8-5-9-13-27/h4-22H,1-3H3
InChIKeyXGSZTASBPZRHTF-UHFFFAOYSA-N
MW516.65 g/mol
LogP8.89
Rot. Bonds4

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole (PubChem CID 118670814) has the molecular formula C36H28N4 and a molecular weight of 516.65 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole
PubChem CID118670814
Molecular FormulaC36H28N4
Molecular Weight516.65 g/mol
Exact Mass516.23
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C36H28N4/c1-23-14-17-32-29(20-23)30-21-24(2)15-18-33(30)40(32)31-19-16-28(22-25(31)3)36-38-34(26-10-6-4-7-11-26)37-35(39-36)27-12-8-5-9-13-27/h4-22H,1-3H3
InChIKeyXGSZTASBPZRHTF-UHFFFAOYSA-N
XLogP8.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole (CID 118670814) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole?
The InChIKey is XGSZTASBPZRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4/c1-23-14-17-32-29(20-23)30-21-24(2)15-18-33(30)40(32)31-19-16-28(22-25(31)3)36-38-34(26-10-6-4-7-11-26)37-35(39-36)27-12-8-5-9-13-27/h4-22H,1-3H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole has a molecular weight of 516.65 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 118670814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).