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

C85H56N2 — CID 154590573

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

3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 154590573) has the molecular formula C85H56N2 and a molecular weight of 1105.40 g/mol. Its IUPAC name is 3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• PubChem CID: 154590573
• Molecular Formula: C85H56N2
• Molecular Weight: 1105.40 g/mol
• Exact Mass: 1104.44
• IUPAC Name: 3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc(-c7ccc(-c8cccc(-c9ccc(C%10(c%11ccccc%11)c%11ccccc%11-c%11ccccc%11%10)cc9)c8)cc7)c6)cc5)ccc43)c2)cc1
• InChI: InChI=1S/C85H56N2/c1-3-18-57(19-4-1)66-24-17-27-72(54-66)87-82-35-14-10-31-76(82)78-56-68(45-51-84(78)87)67-44-50-83-77(55-67)75-30-9-13-34-81(75)86(83)71-48-42-61(43-49-71)65-23-16-21-63(53-65)59-38-36-58(37-39-59)62-20-15-22-64(52-62)60-40-46-70(47-41-60)85(69-25-5-2-6-26-69)79-32-11-7-28-73(79)74-29-8-12-33-80(74)85/h1-56H
• InChIKey: JCYZXDLQTXZPBH-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.40
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 154590573) is 3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

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

The canonical SMILES for 3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc(-c7ccc(-c8cccc(-c9ccc(C%10(c%11ccccc%11)c%11ccccc%11-c%11ccccc%11%10)cc9)c8)cc7)c6)cc5)ccc43)c2)cc1.

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

The InChIKey is JCYZXDLQTXZPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H56N2/c1-3-18-57(19-4-1)66-24-17-27-72(54-66)87-82-35-14-10-31-76(82)78-56-68(45-51-84(78)87)67-44-50-83-77(55-67)75-30-9-13-34-81(75)86(83)71-48-42-61(43-49-71)65-23-16-21-63(53-65)59-38-36-58(37-39-59)62-20-15-22-64(52-62)60-40-46-70(47-41-60)85(69-25-5-2-6-26-69)79-32-11-7-28-73(79)74-29-8-12-33-80(74)85/h1-56H.

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

3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 1105.40 g/mol, XLogP of 22.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 154590573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).