3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole

C78H50N4 — CID 138601418

About 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole

3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole (PubChem CID 138601418) has the molecular formula C78H50N4 and a molecular weight of 1043.29 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
• PubChem CID: 138601418
• Molecular Formula: C78H50N4
• Molecular Weight: 1043.29 g/mol
• Exact Mass: 1042.40
• IUPAC Name: 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-c7cccc(-c8cc(-c9ccccc9)cc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)c8)c7)ccc65)ccc43)cc2)cc1
• InChI: InChI=1S/C78H50N4/c1-3-18-51(19-4-1)53-34-37-59(38-35-53)79-73-31-14-10-27-66(73)69-50-61(39-42-77(69)79)81-74-32-15-9-26-65(74)68-48-56(36-41-76(68)81)54-22-17-23-55(44-54)58-45-57(52-20-5-2-6-21-52)46-62(47-58)82-75-33-16-11-28-67(75)70-49-60(40-43-78(70)82)80-71-29-12-7-24-63(71)64-25-8-13-30-72(64)80/h1-50H
• InChIKey: UXAXYIVKOUUBLD-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.29
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole (CID 138601418) is 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-c7cccc(-c8cc(-c9ccccc9)cc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)c8)c7)ccc65)ccc43)cc2)cc1.

What is the InChIKey of 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole?

The InChIKey is UXAXYIVKOUUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N4/c1-3-18-51(19-4-1)53-34-37-59(38-35-53)79-73-31-14-10-27-66(73)69-50-61(39-42-77(69)79)81-74-32-15-9-26-65(74)68-48-56(36-41-76(68)81)54-22-17-23-55(44-54)58-45-57(52-20-5-2-6-21-52)46-62(47-58)82-75-33-16-11-28-67(75)70-49-60(40-43-78(70)82)80-71-29-12-7-24-63(71)64-25-8-13-30-72(64)80/h1-50H.

What are the key properties of 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole?

3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole has a molecular weight of 1043.29 g/mol, XLogP of 20.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 138601418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).