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

C78H52N2 — CID 154590628

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

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590628) 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-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590628
• 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-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5cccc(-c6ccc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc(-c%11ccccc%11)cc%10)ccc98)c7)cc6)c5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C78H52N2/c1-3-14-53(15-4-1)55-28-30-56(31-29-55)57-32-34-59(35-33-57)62-18-11-20-64(48-62)65-21-12-19-63(49-65)60-36-38-61(39-37-60)66-22-13-23-70(50-66)80-76-27-10-8-25-72(76)74-52-68(43-47-78(74)80)67-42-46-77-73(51-67)71-24-7-9-26-75(71)79(77)69-44-40-58(41-45-69)54-16-5-2-6-17-54/h1-52H
• InChIKey: SVITWIQZUALZNX-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-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590628) is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-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-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5cccc(-c6ccc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc(-c%11ccccc%11)cc%10)ccc98)c7)cc6)c5)c4)cc3)cc2)cc1.

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

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

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

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-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-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).