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

C65H44N6 — CID 58556534

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole (PubChem CID 58556534) has the molecular formula C65H44N6 and a molecular weight of 909.11 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
• PubChem CID: 58556534
• Molecular Formula: C65H44N6
• Molecular Weight: 909.11 g/mol
• Exact Mass: 908.36
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
• SMILES: Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1
• InChI: InChI=1S/C65H44N6/c1-41-21-29-49(30-22-41)69-57-19-11-9-17-51(57)53-37-45(25-33-59(53)69)47-27-35-61-55(39-47)56-40-48(46-26-34-60-54(38-46)52-18-10-12-20-58(52)70(60)50-31-23-42(2)24-32-50)28-36-62(56)71(61)65-67-63(43-13-5-3-6-14-43)66-64(68-65)44-15-7-4-8-16-44/h3-40H,1-2H3
• InChIKey: HNKZCKHLCUQHGQ-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.11
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole (CID 58556534) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole.

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

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.

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

The InChIKey is HNKZCKHLCUQHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N6/c1-41-21-29-49(30-22-41)69-57-19-11-9-17-51(57)53-37-45(25-33-59(53)69)47-27-35-61-55(39-47)56-40-48(46-26-34-60-54(38-46)52-18-10-12-20-58(52)70(60)50-31-23-42(2)24-32-50)28-36-62(56)71(61)65-67-63(43-13-5-3-6-14-43)66-64(68-65)44-15-7-4-8-16-44/h3-40H,1-2H3.

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole has a molecular weight of 909.11 g/mol, XLogP of 16.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 58556534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).