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

C81H51N7 — CID 174273630

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

2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole (PubChem CID 174273630) has the molecular formula C81H51N7 and a molecular weight of 1122.35 g/mol. Its IUPAC name is 2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
• PubChem CID: 174273630
• Molecular Formula: C81H51N7
• Molecular Weight: 1122.35 g/mol
• Exact Mass: 1121.42
• IUPAC Name: 2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6)c5c4)cc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)n2)cc1
• InChI: InChI=1S/C81H51N7/c1-3-22-52(23-4-1)79-82-80(53-24-5-2-6-25-53)84-81(83-79)67-47-45-57(51-77(67)88-73-41-18-12-35-66(73)78-74(42-21-43-75(78)88)87-71-39-16-10-32-62(71)63-33-11-17-40-72(63)87)56-44-46-65-64-34-9-15-38-70(64)86(76(65)50-56)59-29-20-27-55(49-59)54-26-19-28-58(48-54)85-68-36-13-7-30-60(68)61-31-8-14-37-69(61)85/h1-51H
• InChIKey: BRAOVKLBQDLUAF-UHFFFAOYSA-N
• XLogP: 20.59
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1122.35
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole (CID 174273630) is 2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole.

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

The canonical SMILES for 2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6)c5c4)cc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)n2)cc1.

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

The InChIKey is BRAOVKLBQDLUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51N7/c1-3-22-52(23-4-1)79-82-80(53-24-5-2-6-25-53)84-81(83-79)67-47-45-57(51-77(67)88-73-41-18-12-35-66(73)78-74(42-21-43-75(78)88)87-71-39-16-10-32-62(71)63-33-11-17-40-72(63)87)56-44-46-65-64-34-9-15-38-70(64)86(76(65)50-56)59-29-20-27-55(49-59)54-26-19-28-58(48-54)85-68-36-13-7-30-60(68)61-31-8-14-37-69(61)85/h1-51H.

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

2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole has a molecular weight of 1122.35 g/mol, XLogP of 20.59, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 174273630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).