2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline

C43H22F10N2 — CID 90193979

About 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline

2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline (PubChem CID 90193979) has the molecular formula C43H22F10N2 and a molecular weight of 756.64 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline
• PubChem CID: 90193979
• Molecular Formula: C43H22F10N2
• Molecular Weight: 756.64 g/mol
• Exact Mass: 756.16
• IUPAC Name: 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline
• SMILES: Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(F)cc5)c5c(F)c(F)c(-c6c(F)c(F)c(F)c(F)c6F)c(F)c5F)cc4)ccc32)cc1
• InChI: InChI=1S/C43H22F10N2/c1-21-6-13-27(14-7-21)55-30-5-3-2-4-28(30)29-20-23(10-19-31(29)55)22-8-15-25(16-9-22)54(26-17-11-24(44)12-18-26)43-41(52)36(47)33(37(48)42(43)53)32-34(45)38(49)40(51)39(50)35(32)46/h2-20H,1H3
• InChIKey: RQPBVHDFKUZULN-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.64
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline?

The IUPAC name of 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline (CID 90193979) is 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline.

What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline?

The canonical SMILES for 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(F)cc5)c5c(F)c(F)c(-c6c(F)c(F)c(F)c(F)c6F)c(F)c5F)cc4)ccc32)cc1.

What is the InChIKey of 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline?

The InChIKey is RQPBVHDFKUZULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H22F10N2/c1-21-6-13-27(14-7-21)55-30-5-3-2-4-28(30)29-20-23(10-19-31(29)55)22-8-15-25(16-9-22)54(26-17-11-24(44)12-18-26)43-41(52)36(47)33(37(48)42(43)53)32-34(45)38(49)40(51)39(50)35(32)46/h2-20H,1H3.

What are the key properties of 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline?

2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline has a molecular weight of 756.64 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetrafluoro-N-(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-(2,3,4,5,6-pentafluorophenyl)aniline is sourced from PubChem (CID 90193979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).