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

C81H52N6 — CID 88878713

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole (PubChem CID 88878713) has the molecular formula C81H52N6 and a molecular weight of 1109.35 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
• PubChem CID: 88878713
• Molecular Formula: C81H52N6
• Molecular Weight: 1109.35 g/mol
• Exact Mass: 1108.43
• IUPAC Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-n8c9ccccc9c9ccc(-c%10ccccc%10)cc98)cc7)ccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c3c2)cc1
• InChI: InChI=1S/C81H52N6/c1-5-17-53(18-6-1)62-35-45-69-67-25-13-15-27-73(67)86(77(69)51-62)65-39-29-55(30-40-65)60-37-47-75-71(49-60)72-50-61(56-31-41-66(42-32-56)87-74-28-16-14-26-68(74)70-46-36-63(52-78(70)87)54-19-7-2-8-20-54)38-48-76(72)85(75)64-43-33-59(34-44-64)81-83-79(57-21-9-3-10-22-57)82-80(84-81)58-23-11-4-12-24-58/h1-52H
• InChIKey: ZGFSDTLERWASEP-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.35
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole (CID 88878713) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole.

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

The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-n8c9ccccc9c9ccc(-c%10ccccc%10)cc98)cc7)ccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c3c2)cc1.

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

The InChIKey is ZGFSDTLERWASEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52N6/c1-5-17-53(18-6-1)62-35-45-69-67-25-13-15-27-73(67)86(77(69)51-62)65-39-29-55(30-40-65)60-37-47-75-71(49-60)72-50-61(56-31-41-66(42-32-56)87-74-28-16-14-26-68(74)70-46-36-63(52-78(70)87)54-19-7-2-8-20-54)38-48-76(72)85(75)64-43-33-59(34-44-64)81-83-79(57-21-9-3-10-22-57)82-80(84-81)58-23-11-4-12-24-58/h1-52H.

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole has a molecular weight of 1109.35 g/mol, XLogP of 20.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 88878713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).