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

C82H58N8 — CID 139504246

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

3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 139504246) has the molecular formula C82H58N8 and a molecular weight of 1155.42 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 139504246
• Molecular Formula: C82H58N8
• Molecular Weight: 1155.42 g/mol
• Exact Mass: 1154.48
• IUPAC Name: 3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cc(C)cc(C)c6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C82H58N8/c1-51-41-52(2)44-63(43-51)61-35-37-73-67(47-61)65-29-17-19-31-71(65)89(73)75-39-33-59(49-69(75)81-85-77(55-21-9-5-10-22-55)83-78(86-81)56-23-11-6-12-24-56)60-34-40-76(70(50-60)82-87-79(57-25-13-7-14-26-57)84-80(88-82)58-27-15-8-16-28-58)90-72-32-20-18-30-66(72)68-48-62(36-38-74(68)90)64-45-53(3)42-54(4)46-64/h5-50H,1-4H3
• InChIKey: VALLCQMHZYJDBL-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.42
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 139504246) is 3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cc(C)cc(C)c6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

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

The InChIKey is VALLCQMHZYJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N8/c1-51-41-52(2)44-63(43-51)61-35-37-73-67(47-61)65-29-17-19-31-71(65)89(73)75-39-33-59(49-69(75)81-85-77(55-21-9-5-10-22-55)83-78(86-81)56-23-11-6-12-24-56)60-34-40-76(70(50-60)82-87-79(57-25-13-7-14-26-57)84-80(88-82)58-27-15-8-16-28-58)90-72-32-20-18-30-66(72)68-48-62(36-38-74(68)90)64-45-53(3)42-54(4)46-64/h5-50H,1-4H3.

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

3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1155.42 g/mol, XLogP of 20.49, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 139504246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).