2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine

C45H13F26N3 — CID 166974181

About 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine

2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine (PubChem CID 166974181) has the molecular formula C45H13F26N3 and a molecular weight of 1089.57 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
• PubChem CID: 166974181
• Molecular Formula: C45H13F26N3
• Molecular Weight: 1089.57 g/mol
• Exact Mass: 1089.07
• IUPAC Name: 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
• SMILES: Cc1c(F)c(F)c(N(c2ccccc2)c2c(F)c(F)c(N(c3c(F)c(F)c(N(c4ccccc4)c4c(F)c(F)c(C(F)(F)F)c(F)c4F)c(F)c3F)c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C45H13F26N3/c1-12-17(46)23(52)37(24(53)18(12)47)72(13-8-4-2-5-9-13)39-29(58)33(62)42(34(63)30(39)59)74(41-27(56)21(50)16(45(69,70)71)22(51)28(41)57)43-35(64)31(60)40(32(61)36(43)65)73(14-10-6-3-7-11-14)38-25(54)19(48)15(44(66,67)68)20(49)26(38)55/h2-11H,1H3
• InChIKey: LTEPYVIIZSADPT-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.57
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?

The IUPAC name of 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine (CID 166974181) is 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine.

What is the SMILES notation for 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?

The canonical SMILES for 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine is Cc1c(F)c(F)c(N(c2ccccc2)c2c(F)c(F)c(N(c3c(F)c(F)c(N(c4ccccc4)c4c(F)c(F)c(C(F)(F)F)c(F)c4F)c(F)c3F)c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c(F)c2F)c(F)c1F.

What is the InChIKey of 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?

The InChIKey is LTEPYVIIZSADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H13F26N3/c1-12-17(46)23(52)37(24(53)18(12)47)72(13-8-4-2-5-9-13)39-29(58)33(62)42(34(63)30(39)59)74(41-27(56)21(50)16(45(69,70)71)22(51)28(41)57)43-35(64)31(60)40(32(61)36(43)65)73(14-10-6-3-7-11-14)38-25(54)19(48)15(44(66,67)68)20(49)26(38)55/h2-11H,1H3.

What are the key properties of 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine?

2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine has a molecular weight of 1089.57 g/mol, XLogP of 17.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 166974181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).