9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole

C80H50N8 — CID 58943440

About 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole

9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole (PubChem CID 58943440) has the molecular formula C80H50N8 and a molecular weight of 1123.34 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
• PubChem CID: 58943440
• Molecular Formula: C80H50N8
• Molecular Weight: 1123.34 g/mol
• Exact Mass: 1122.42
• IUPAC Name: 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1
• InChI: InChI=1S/C80H50N8/c1-2-22-51(23-3-1)56-46-57(52-24-20-26-54(44-52)67-49-77(85-69-36-12-4-28-59(69)60-29-5-13-37-70(60)85)83-79(81-67)87-73-40-16-8-32-63(73)64-33-9-17-41-74(64)87)48-58(47-56)53-25-21-27-55(45-53)68-50-78(86-71-38-14-6-30-61(71)62-31-7-15-39-72(62)86)84-80(82-68)88-75-42-18-10-34-65(75)66-35-11-19-43-76(66)88/h1-50H
• InChIKey: WFIBMIZBTXJPBI-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.34
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole?

The IUPAC name of 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole (CID 58943440) is 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole.

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

The canonical SMILES for 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1.

What is the InChIKey of 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole?

The InChIKey is WFIBMIZBTXJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c1-2-22-51(23-3-1)56-46-57(52-24-20-26-54(44-52)67-49-77(85-69-36-12-4-28-59(69)60-29-5-13-37-70(60)85)83-79(81-67)87-73-40-16-8-32-63(73)64-33-9-17-41-74(64)87)48-58(47-56)53-25-21-27-55(45-53)68-50-78(86-71-38-14-6-30-61(71)62-31-7-15-39-72(62)86)84-80(82-68)88-75-42-18-10-34-65(75)66-35-11-19-43-76(66)88/h1-50H.

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

9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole has a molecular weight of 1123.34 g/mol, XLogP of 19.99, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole is sourced from PubChem (CID 58943440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).