7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C77H57N3 — CID 134370793

About 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 134370793) has the molecular formula C77H57N3 and a molecular weight of 1024.32 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 134370793
• Molecular Formula: C77H57N3
• Molecular Weight: 1024.32 g/mol
• Exact Mass: 1023.46
• IUPAC Name: 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: Cc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)cc3)c2)cc1
• InChI: InChI=1S/C77H57N3/c1-50-18-17-19-51(2)76(50)55-34-43-75-69(47-55)68-26-13-16-29-74(68)79(75)61-37-32-54(33-38-61)58-45-56(52-20-7-5-8-21-52)44-57(46-58)53-30-35-60(36-31-53)78(59-22-9-6-10-23-59)62-39-41-64-65-42-40-63(49-71(65)77(3,4)70(64)48-62)80-72-27-14-11-24-66(72)67-25-12-15-28-73(67)80/h5-49H,1-4H3
• InChIKey: KTPSYRFQNFMNIB-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.32
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 134370793) is 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is Cc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)cc3)c2)cc1.

What is the InChIKey of 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is KTPSYRFQNFMNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H57N3/c1-50-18-17-19-51(2)76(50)55-34-43-75-69(47-55)68-26-13-16-29-74(68)79(75)61-37-32-54(33-38-61)58-45-56(52-20-7-5-8-21-52)44-57(46-58)53-30-35-60(36-31-53)78(59-22-9-6-10-23-59)62-39-41-64-65-42-40-63(49-71(65)77(3,4)70(64)48-62)80-72-27-14-11-24-66(72)67-25-12-15-28-73(67)80/h5-49H,1-4H3.

What are the key properties of 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 1024.32 g/mol, XLogP of 20.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-N-[4-[3-[4-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 134370793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).