9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine

C72H46F4N4 — CID 59844874

About 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine

9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine (PubChem CID 59844874) has the molecular formula C72H46F4N4 and a molecular weight of 1043.18 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
• PubChem CID: 59844874
• Molecular Formula: C72H46F4N4
• Molecular Weight: 1043.18 g/mol
• Exact Mass: 1042.37
• IUPAC Name: 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
• SMILES: Fc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(F)cc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)cc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)cc2)cc1
• InChI: InChI=1S/C72H46F4N4/c73-53-21-9-47(10-22-53)49-13-29-57(30-14-49)77(63-41-43-71-67(45-63)65-5-1-3-7-69(65)79(71)61-37-25-55(75)26-38-61)59-33-17-51(18-34-59)52-19-35-60(36-20-52)78(58-31-15-50(16-32-58)48-11-23-54(74)24-12-48)64-42-44-72-68(46-64)66-6-2-4-8-70(66)80(72)62-39-27-56(76)28-40-62/h1-46H
• InChIKey: JYXKTTFMVSBZFY-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.18
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine?

The IUPAC name of 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine (CID 59844874) is 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine.

What is the SMILES notation for 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine?

The canonical SMILES for 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(F)cc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)cc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)cc2)cc1.

What is the InChIKey of 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine?

The InChIKey is JYXKTTFMVSBZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46F4N4/c73-53-21-9-47(10-22-53)49-13-29-57(30-14-49)77(63-41-43-71-67(45-63)65-5-1-3-7-69(65)79(71)61-37-25-55(75)26-38-61)59-33-17-51(18-34-59)52-19-35-60(36-20-52)78(58-31-15-50(16-32-58)48-11-23-54(74)24-12-48)64-42-44-72-68(46-64)66-6-2-4-8-70(66)80(72)62-39-27-56(76)28-40-62/h1-46H.

What are the key properties of 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine?

9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine has a molecular weight of 1043.18 g/mol, XLogP of 20.38, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 59844874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).