2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline

C52H27F9N2 — CID 90194010

About 2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline

2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline (PubChem CID 90194010) has the molecular formula C52H27F9N2 and a molecular weight of 850.78 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline
• PubChem CID: 90194010
• Molecular Formula: C52H27F9N2
• Molecular Weight: 850.78 g/mol
• Exact Mass: 850.20
• IUPAC Name: 2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline
• SMILES: Fc1c(F)c(F)c(-c2c(F)c(F)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C52H27F9N2/c53-43-41(44(54)48(58)49(59)47(43)57)42-45(55)50(60)52(51(61)46(42)56)62(34-20-14-30(15-21-34)28-8-2-1-3-9-28)35-22-16-31(17-23-35)33-19-25-40-38(27-33)37-12-6-7-13-39(37)63(40)36-24-18-29-10-4-5-11-32(29)26-36/h1-27H
• InChIKey: KYWMKPHYSNSQIH-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.78
LogP ≤ 5	15.66
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-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline?

The IUPAC name of 2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline (CID 90194010) is 2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline.

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

The canonical SMILES for 2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline is Fc1c(F)c(F)c(-c2c(F)c(F)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)c(F)c2F)c(F)c1F.

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

The InChIKey is KYWMKPHYSNSQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H27F9N2/c53-43-41(44(54)48(58)49(59)47(43)57)42-45(55)50(60)52(51(61)46(42)56)62(34-20-14-30(15-21-34)28-8-2-1-3-9-28)35-22-16-31(17-23-35)33-19-25-40-38(27-33)37-12-6-7-13-39(37)63(40)36-24-18-29-10-4-5-11-32(29)26-36/h1-27H.

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

2,3,5,6-tetrafluoro-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 850.78 g/mol, XLogP of 15.66, 7 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-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90194010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).