3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole

C78H52N2 — CID 154590375

About 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590375) has the molecular formula C78H52N2 and a molecular weight of 1017.29 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590375
• Molecular Formula: C78H52N2
• Molecular Weight: 1017.29 g/mol
• Exact Mass: 1016.41
• IUPAC Name: 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc(-c7cccc(-c8cccc(-c9ccc(-c%10ccccc%10-c%10ccccc%10)cc9)c8)c7)cc6)c5)ccc43)cc2)cc1
• InChI: InChI=1S/C78H52N2/c1-3-16-53(17-4-1)54-40-44-67(45-41-54)79-75-30-11-9-28-71(75)73-51-65(42-46-77(73)79)66-43-47-78-74(52-66)72-29-10-12-31-76(72)80(78)68-25-15-24-64(50-68)57-34-32-55(33-35-57)60-20-13-22-62(48-60)63-23-14-21-61(49-63)56-36-38-59(39-37-56)70-27-8-7-26-69(70)58-18-5-2-6-19-58/h1-52H
• InChIKey: MLHIMWOMQANILQ-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.29
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590375) is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc(-c7cccc(-c8cccc(-c9ccc(-c%10ccccc%10-c%10ccccc%10)cc9)c8)c7)cc6)c5)ccc43)cc2)cc1.

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

The InChIKey is MLHIMWOMQANILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2/c1-3-16-53(17-4-1)54-40-44-67(45-41-54)79-75-30-11-9-28-71(75)73-51-65(42-46-77(73)79)66-43-47-78-74(52-66)72-29-10-12-31-76(72)80(78)68-25-15-24-64(50-68)57-34-32-55(33-35-57)60-20-13-22-62(48-60)63-23-14-21-61(49-63)56-36-38-59(39-37-56)70-27-8-7-26-69(70)58-18-5-2-6-19-58/h1-52H.

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

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 1017.29 g/mol, XLogP of 21.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).