9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

C56H47N7 — CID 137420761

About 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 137420761) has the molecular formula C56H47N7 and a molecular weight of 818.04 g/mol. Its IUPAC name is 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 137420761
• Molecular Formula: C56H47N7
• Molecular Weight: 818.04 g/mol
• Exact Mass: 817.39
• IUPAC Name: 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(-c3nc(C)nc(C)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1
• InChI: InChI=1S/C56H47N7/c1-32-25-34(3)51(35(4)26-32)42-19-22-48-45(29-42)46-30-43(52-36(5)27-33(2)28-37(52)6)20-23-49(46)63(48)50-24-21-44(55-58-38(7)57-39(8)59-55)31-47(50)56-61-53(40-15-11-9-12-16-40)60-54(62-56)41-17-13-10-14-18-41/h9-31H,1-8H3
• InChIKey: MDDZBLGMJRYXGA-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.04
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?

The IUPAC name of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (CID 137420761) is 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.

What is the SMILES notation for 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?

The canonical SMILES for 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(-c3nc(C)nc(C)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.

What is the InChIKey of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?

The InChIKey is MDDZBLGMJRYXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N7/c1-32-25-34(3)51(35(4)26-32)42-19-22-48-45(29-42)46-30-43(52-36(5)27-33(2)28-37(52)6)20-23-49(46)63(48)50-24-21-44(55-58-38(7)57-39(8)59-55)31-47(50)56-61-53(40-15-11-9-12-16-40)60-54(62-56)41-17-13-10-14-18-41/h9-31H,1-8H3.

What are the key properties of 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?

9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole has a molecular weight of 818.04 g/mol, XLogP of 13.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 137420761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).