9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine

C77H52N2 — CID 168781573

About 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine

9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine (PubChem CID 168781573) has the molecular formula C77H52N2 and a molecular weight of 1005.28 g/mol. Its IUPAC name is 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
• PubChem CID: 168781573
• Molecular Formula: C77H52N2
• Molecular Weight: 1005.28 g/mol
• Exact Mass: 1004.41
• IUPAC Name: 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C77H52N2/c1-5-21-54(22-6-1)64-30-15-17-33-67(64)68-34-18-16-31-65(68)56-39-45-62(46-40-56)78(63-47-50-74-72(52-63)69-35-19-20-36-73(69)77(74,58-24-7-2-8-25-58)59-26-9-3-10-27-59)61-43-37-53(38-44-61)57-42-48-70-71-49-41-55-23-13-14-32-66(55)76(71)79(75(70)51-57)60-28-11-4-12-29-60/h1-52H
• InChIKey: AMVDXZLKAWKFGW-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.28
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine?

The IUPAC name of 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine (CID 168781573) is 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine.

What is the SMILES notation for 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine?

The canonical SMILES for 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine?

The InChIKey is AMVDXZLKAWKFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N2/c1-5-21-54(22-6-1)64-30-15-17-33-67(64)68-34-18-16-31-65(68)56-39-45-62(46-40-56)78(63-47-50-74-72(52-63)69-35-19-20-36-73(69)77(74,58-24-7-2-8-25-58)59-26-9-3-10-27-59)61-43-37-53(38-44-61)57-42-48-70-71-49-41-55-23-13-14-32-66(55)76(71)79(75(70)51-57)60-28-11-4-12-29-60/h1-52H.

What are the key properties of 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine?

9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine has a molecular weight of 1005.28 g/mol, XLogP of 20.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine is sourced from PubChem (CID 168781573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).