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

C75H49N5 — CID 155636664

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

9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 155636664) has the molecular formula C75H49N5 and a molecular weight of 1020.25 g/mol. Its IUPAC name is 9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
• PubChem CID: 155636664
• Molecular Formula: C75H49N5
• Molecular Weight: 1020.25 g/mol
• Exact Mass: 1019.40
• IUPAC Name: 9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C75H49N5/c1-7-21-50(22-8-1)56-35-40-69-63(45-56)64-46-57(51-23-9-2-10-24-51)36-41-70(64)79(69)67-34-20-19-33-61(67)62-49-60(75-77-73(54-29-15-5-16-30-54)76-74(78-75)55-31-17-6-18-32-55)39-44-68(62)80-71-42-37-58(52-25-11-3-12-26-52)47-65(71)66-48-59(38-43-72(66)80)53-27-13-4-14-28-53/h1-49H
• InChIKey: DTGIIJSMSFSJGH-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.25
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole (CID 155636664) is 9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole.

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

The canonical SMILES for 9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.

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

The InChIKey is DTGIIJSMSFSJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N5/c1-7-21-50(22-8-1)56-35-40-69-63(45-56)64-46-57(51-23-9-2-10-24-51)36-41-70(64)79(69)67-34-20-19-33-61(67)62-49-60(75-77-73(54-29-15-5-16-30-54)76-74(78-75)55-31-17-6-18-32-55)39-44-68(62)80-71-42-37-58(52-25-11-3-12-26-52)47-65(71)66-48-59(38-43-72(66)80)53-27-13-4-14-28-53/h1-49H.

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

9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 1020.25 g/mol, XLogP of 19.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 155636664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).