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

C62H39N7 — CID 152654561

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

9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 152654561) has the molecular formula C62H39N7 and a molecular weight of 882.04 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole
• PubChem CID: 152654561
• Molecular Formula: C62H39N7
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.33
• IUPAC Name: 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-n5c6ccccc6c6ccccc65)cnc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C62H39N7/c1-3-20-40(21-4-1)59-64-60(41-22-5-2-6-23-41)66-61(65-59)43-25-19-24-42(38-43)57-56(67-50-32-13-7-26-44(50)45-27-8-14-33-51(45)67)39-63-62(69-54-36-17-11-30-48(54)49-31-12-18-37-55(49)69)58(57)68-52-34-15-9-28-46(52)47-29-10-16-35-53(47)68/h1-39H
• InChIKey: ZIGGKOYRRATDMS-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 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole?

The IUPAC name of 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole (CID 152654561) is 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole.

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

The canonical SMILES for 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-n5c6ccccc6c6ccccc65)cnc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)c3)n2)cc1.

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

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

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

9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]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 9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 152654561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).