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

C83H56N6 — CID 158648184

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

9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole (PubChem CID 158648184) has the molecular formula C83H56N6 and a molecular weight of 1137.40 g/mol. Its IUPAC name is 9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
• PubChem CID: 158648184
• Molecular Formula: C83H56N6
• Molecular Weight: 1137.40 g/mol
• Exact Mass: 1136.46
• IUPAC Name: 9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
• SMILES: Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
• InChI: InChI=1S/C83H56N6/c1-53-19-17-25-59(47-53)61-39-45-78-72(49-61)73-50-62(60-26-18-20-54(2)48-60)40-46-79(73)89(78)80-70(55-35-41-64(42-36-55)87-74-31-13-9-27-66(74)67-28-10-14-32-75(67)87)51-63(83-85-81(57-21-5-3-6-22-57)84-82(86-83)58-23-7-4-8-24-58)52-71(80)56-37-43-65(44-38-56)88-76-33-15-11-29-68(76)69-30-12-16-34-77(69)88/h3-52H,1-2H3
• InChIKey: UQXNRQGDMPEHFF-UHFFFAOYSA-N
• XLogP: 21.45
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.40
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole (CID 158648184) is 9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole.

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

The canonical SMILES for 9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.

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

The InChIKey is UQXNRQGDMPEHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H56N6/c1-53-19-17-25-59(47-53)61-39-45-78-72(49-61)73-50-62(60-26-18-20-54(2)48-60)40-46-79(73)89(78)80-70(55-35-41-64(42-36-55)87-74-31-13-9-27-66(74)67-28-10-14-32-75(67)87)51-63(83-85-81(57-21-5-3-6-22-57)84-82(86-83)58-23-7-4-8-24-58)52-71(80)56-37-43-65(44-38-56)88-76-33-15-11-29-68(76)69-30-12-16-34-77(69)88/h3-52H,1-2H3.

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

9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole has a molecular weight of 1137.40 g/mol, XLogP of 21.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole is sourced from PubChem (CID 158648184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).