9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

C84H54N4 — CID 166922681

About 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 166922681) has the molecular formula C84H54N4 and a molecular weight of 1119.38 g/mol. Its IUPAC name is 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
• PubChem CID: 166922681
• Molecular Formula: C84H54N4
• Molecular Weight: 1119.38 g/mol
• Exact Mass: 1118.43
• IUPAC Name: 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8cccc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cc%11%10)cc9)c8)cc7n(-c7ccccc7)c6c5)ccc43)c2)cc1
• InChI: InChI=1S/C84H54N4/c1-4-18-55(19-5-1)59-22-17-27-68(49-59)88-79-33-15-12-30-71(79)76-50-60(40-47-80(76)88)62-37-46-75-74-45-36-61(51-83(74)87(84(75)52-62)66-25-8-3-9-26-66)58-21-16-20-57(48-58)56-34-41-67(42-35-56)86-78-32-14-11-29-70(78)73-44-39-64(54-82(73)86)63-38-43-72-69-28-10-13-31-77(69)85(81(72)53-63)65-23-6-2-7-24-65/h1-54H
• InChIKey: XEJNNHBGLASIIY-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.38
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

The IUPAC name of 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 166922681) is 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

What is the SMILES notation for 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

The canonical SMILES for 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8cccc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cc%11%10)cc9)c8)cc7n(-c7ccccc7)c6c5)ccc43)c2)cc1.

What is the InChIKey of 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

The InChIKey is XEJNNHBGLASIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4/c1-4-18-55(19-5-1)59-22-17-27-68(49-59)88-79-33-15-12-30-71(79)76-50-60(40-47-80(76)88)62-37-46-75-74-45-36-61(51-83(74)87(84(75)52-62)66-25-8-3-9-26-66)58-21-16-20-57(48-58)56-34-41-67(42-35-56)86-78-32-14-11-29-70(78)73-44-39-64(54-82(73)86)63-38-43-72-69-28-10-13-31-77(69)85(81(72)53-63)65-23-6-2-7-24-65/h1-54H.

What are the key properties of 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?

9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 1119.38 g/mol, XLogP of 22.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 166922681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).