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

C62H39N7 — CID 168836615

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

3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole (PubChem CID 168836615) has the molecular formula C62H39N7 and a molecular weight of 882.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole
• PubChem CID: 168836615
• Molecular Formula: C62H39N7
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.33
• IUPAC Name: 3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)nc3)n2)cc1
• InChI: InChI=1S/C62H39N7/c1-3-17-40(18-4-1)60-64-61(41-19-5-2-6-20-41)66-62(65-60)42-31-33-53(63-39-42)43-35-45(68-56-28-14-9-23-49(56)50-24-10-15-29-57(50)68)37-46(36-43)69-58-30-16-11-25-51(58)52-38-44(32-34-59(52)69)67-54-26-12-7-21-47(54)48-22-8-13-27-55(48)67/h1-39H
• InChIKey: MAVAPPGHQQOJBX-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole (CID 168836615) is 3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)nc3)n2)cc1.

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

The InChIKey is MAVAPPGHQQOJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7/c1-3-17-40(18-4-1)60-64-61(41-19-5-2-6-20-41)66-62(65-60)42-31-33-53(63-39-42)43-35-45(68-56-28-14-9-23-49(56)50-24-10-15-29-57(50)68)37-46(36-43)69-58-30-16-11-25-51(58)52-38-44(32-34-59(52)69)67-54-26-12-7-21-47(54)48-22-8-13-27-55(48)67/h1-39H.

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

3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole has a molecular weight of 882.04 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 168836615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).