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

C78H52N2 — CID 154590420

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

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590420) has the molecular formula C78H52N2 and a molecular weight of 1017.29 g/mol. Its IUPAC name is 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590420
• Molecular Formula: C78H52N2
• Molecular Weight: 1017.29 g/mol
• Exact Mass: 1016.41
• IUPAC Name: 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9-c9ccccc9)ccc87)c6)cc5)c4)c3)cc2)cc1
• InChI: InChI=1S/C78H52N2/c1-3-18-56(19-4-1)67-28-7-8-29-68(67)58-42-40-54(41-43-58)60-23-16-25-62(49-60)61-24-15-22-59(48-61)53-36-38-55(39-37-53)63-26-17-27-66(50-63)79-75-34-13-10-31-70(75)72-51-64(44-46-77(72)79)65-45-47-78-73(52-65)71-32-11-14-35-76(71)80(78)74-33-12-9-30-69(74)57-20-5-2-6-21-57/h1-52H
• InChIKey: BBYYNAJQNYARPV-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-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590420) is 3-[9-(2-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-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5ccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9-c9ccccc9)ccc87)c6)cc5)c4)c3)cc2)cc1.

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

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

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

3-[9-(2-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-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).