2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

C64H42N4 — CID 71287038

About 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 71287038) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
• PubChem CID: 71287038
• Molecular Formula: C64H42N4
• Molecular Weight: 867.07 g/mol
• Exact Mass: 866.34
• IUPAC Name: 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)ccc43)c2)cc1
• InChI: InChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-37-51(44-19-7-2-8-20-44)39-53(38-50)68-61-28-16-14-26-55(61)57-40-48(32-36-62(57)68)49-31-35-56-54-25-13-15-27-60(54)67(63(56)41-49)52-33-29-46(30-34-52)59-42-58(45-21-9-3-10-22-45)65-64(66-59)47-23-11-4-12-24-47/h1-42H
• InChIKey: FWRIQALYCUNGAV-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.07
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (CID 71287038) is 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.

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

The canonical SMILES for 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)ccc43)c2)cc1.

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

The InChIKey is FWRIQALYCUNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-37-51(44-19-7-2-8-20-44)39-53(38-50)68-61-28-16-14-26-55(61)57-40-48(32-36-62(57)68)49-31-35-56-54-25-13-15-27-60(54)67(63(56)41-49)52-33-29-46(30-34-52)59-42-58(45-21-9-3-10-22-45)65-64(66-59)47-23-11-4-12-24-47/h1-42H.

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

2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 71287038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).