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

C96H62N8 — CID 138701287

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

9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 138701287) has the molecular formula C96H62N8 and a molecular weight of 1327.61 g/mol. Its IUPAC name is 9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
• PubChem CID: 138701287
• Molecular Formula: C96H62N8
• Molecular Weight: 1327.61 g/mol
• Exact Mass: 1326.51
• IUPAC Name: 9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1
• InChI: InChI=1S/C96H62N8/c1-9-25-63(26-10-1)75-49-53-86-82(57-75)83-58-76(64-27-11-2-12-28-64)50-54-87(83)103(86)79-61-80(67-41-45-73(46-42-67)95-99-91(69-33-17-5-18-34-69)97-92(100-95)70-35-19-6-20-36-70)90(104-88-55-51-77(65-29-13-3-14-30-65)59-84(88)85-60-78(52-56-89(85)104)66-31-15-4-16-32-66)81(62-79)68-43-47-74(48-44-68)96-101-93(71-37-21-7-22-38-71)98-94(102-96)72-39-23-8-24-40-72/h1-62H
• InChIKey: GOMCZNWUMYRVDH-UHFFFAOYSA-N
• XLogP: 24.25
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.61
LogP ≤ 5	24.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole (CID 138701287) is 9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole.

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

The canonical SMILES for 9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1.

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

The InChIKey is GOMCZNWUMYRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H62N8/c1-9-25-63(26-10-1)75-49-53-86-82(57-75)83-58-76(64-27-11-2-12-28-64)50-54-87(83)103(86)79-61-80(67-41-45-73(46-42-67)95-99-91(69-33-17-5-18-34-69)97-92(100-95)70-35-19-6-20-36-70)90(104-88-55-51-77(65-29-13-3-14-30-65)59-84(88)85-60-78(52-56-89(85)104)66-31-15-4-16-32-66)81(62-79)68-43-47-74(48-44-68)96-101-93(71-37-21-7-22-38-71)98-94(102-96)72-39-23-8-24-40-72/h1-62H.

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

9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 1327.61 g/mol, XLogP of 24.25, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 138701287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).