N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine

C60H32F10N4 — CID 59844886

About N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine

N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine (PubChem CID 59844886) has the molecular formula C60H32F10N4 and a molecular weight of 998.92 g/mol. Its IUPAC name is N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
• PubChem CID: 59844886
• Molecular Formula: C60H32F10N4
• Molecular Weight: 998.92 g/mol
• Exact Mass: 998.25
• IUPAC Name: N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
• SMILES: Fc1cccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(F)c(F)c(-c3c(F)c(F)c(N(c4cccc(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(F)c3F)c(F)c2F)c1
• InChI: InChI=1S/C60H32F10N4/c61-33-13-11-19-37(29-33)71(39-25-27-47-43(31-39)41-21-7-9-23-45(41)73(47)35-15-3-1-4-16-35)59-55(67)51(63)49(52(64)56(59)68)50-53(65)57(69)60(58(70)54(50)66)72(38-20-12-14-34(62)30-38)40-26-28-48-44(32-40)42-22-8-10-24-46(42)74(48)36-17-5-2-6-18-36/h1-32H
• InChIKey: IUEHVYLYVOYXFK-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.92
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

The IUPAC name of N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine (CID 59844886) is N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine.

What is the SMILES notation for N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

The canonical SMILES for N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine is Fc1cccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(F)c(F)c(-c3c(F)c(F)c(N(c4cccc(F)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(F)c3F)c(F)c2F)c1.

What is the InChIKey of N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

The InChIKey is IUEHVYLYVOYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F10N4/c61-33-13-11-19-37(29-33)71(39-25-27-47-43(31-39)41-21-7-9-23-45(41)73(47)35-15-3-1-4-16-35)59-55(67)51(63)49(52(64)56(59)68)50-53(65)57(69)60(58(70)54(50)66)72(38-20-12-14-34(62)30-38)40-26-28-48-44(32-40)42-22-8-10-24-46(42)74(48)36-17-5-2-6-18-36/h1-32H.

What are the key properties of N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine has a molecular weight of 998.92 g/mol, XLogP of 17.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorophenyl)-9-phenyl-N-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(3-fluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 59844886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).