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

C84H56N2 — CID 154590322

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

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590322) has the molecular formula C84H56N2 and a molecular weight of 1093.39 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590322
• Molecular Formula: C84H56N2
• Molecular Weight: 1093.39 g/mol
• Exact Mass: 1092.44
• IUPAC Name: 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc(-c7ccc(-c8cccc(-c9cccc(-c%10ccc(-c%11cccc(-c%12ccccc%12)c%11)cc%10)c9)c8)cc7)cc6)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C84H56N2/c1-3-14-57(15-4-1)62-40-46-75(47-41-62)85-81-26-9-7-24-77(81)79-55-73(44-50-83(79)85)74-45-51-84-80(56-74)78-25-8-10-27-82(78)86(84)76-48-42-63(43-49-76)61-30-28-59(29-31-61)60-32-34-64(35-33-60)69-20-12-22-71(53-69)72-23-13-21-70(54-72)66-38-36-65(37-39-66)68-19-11-18-67(52-68)58-16-5-2-6-17-58/h1-56H
• InChIKey: CLQABBUIBPDUFF-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.39
LogP ≤ 5	22.88
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-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590322) is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc(-c7ccc(-c8cccc(-c9cccc(-c%10ccc(-c%11cccc(-c%12ccccc%12)c%11)cc%10)c9)c8)cc7)cc6)cc5)ccc43)cc2)cc1.

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

The InChIKey is CLQABBUIBPDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2/c1-3-14-57(15-4-1)62-40-46-75(47-41-62)85-81-26-9-7-24-77(81)79-55-73(44-50-83(79)85)74-45-51-84-80(56-74)78-25-8-10-27-82(78)86(84)76-48-42-63(43-49-76)61-30-28-59(29-31-61)60-32-34-64(35-33-60)69-20-12-22-71(53-69)72-23-13-21-70(54-72)66-38-36-65(37-39-66)68-19-11-18-67(52-68)58-16-5-2-6-17-58/h1-56H.

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

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 1093.39 g/mol, XLogP of 22.88, 11 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-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).