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

C79H52N2 — CID 154590619

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

3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 154590619) has the molecular formula C79H52N2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is 3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
• PubChem CID: 154590619
• Molecular Formula: C79H52N2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.41
• IUPAC Name: 3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc(-c7ccc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)c8)cc7)c6)c5)ccc43)cc2)cc1
• InChI: InChI=1S/C79H52N2/c1-3-18-53(19-4-1)54-40-44-65(45-41-54)80-75-34-13-9-30-69(75)71-51-61(42-46-77(71)80)62-43-47-78-72(52-62)70-31-10-14-35-76(70)81(78)66-27-17-23-60(50-66)58-21-15-20-57(48-58)55-36-38-56(39-37-55)59-22-16-26-64(49-59)79(63-24-5-2-6-25-63)73-32-11-7-28-67(73)68-29-8-12-33-74(68)79/h1-52H
• InChIKey: WCSDZSXLYNECGF-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 154590619) is 3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

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

The canonical SMILES for 3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc(-c7ccc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)c8)cc7)c6)c5)ccc43)cc2)cc1.

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

The InChIKey is WCSDZSXLYNECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2/c1-3-18-53(19-4-1)54-40-44-65(45-41-54)80-75-34-13-9-30-69(75)71-51-61(42-46-77(71)80)62-43-47-78-72(52-62)70-31-10-14-35-76(70)81(78)66-27-17-23-60(50-66)58-21-15-20-57(48-58)55-36-38-56(39-37-55)59-22-16-26-64(49-59)79(63-24-5-2-6-25-63)73-32-11-7-28-67(73)68-29-8-12-33-74(68)79/h1-52H.

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

3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 1029.30 g/mol, XLogP of 20.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 154590619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).