1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine

C60H6F48N4 — CID 59711272

IUPAC1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine
SMILESFc1c(F)c(F)c(N(c2cc(C(F)(F)F)c(N(c3cc(C(F)(F)F)c(N(c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4F)cc3C(F)(F)F)c3cc(C(F)(F)F)c(N(c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4F)cc3C(F)(F)F)cc2C(F)(F)F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C60H6F48N4/c61-19-25(67)37(79)49(38(80)26(19)68)110(50-39(81)27(69)20(62)28(70)40(50)82)16-4-7(55(91,92)93)13(1-10(16)58(100,101)102)109(14-2-11(59(103,104)105)17(5-8(14)56(94,95)96)111(51-41(83)29(71)21(63)30(72)42(51)84)52-43(85)31(73)22(64)32(74)44(52)86)15-3-12(60(106,107)108)18(6-9(15)57(97,98)99)112(53-45(87)33(75)23(65)34(76)46(53)88)54-47(89)35(77)24(66)36(78)48(54)90/h1-6H
InChIKeyHZWQSQOZVHIYQR-UHFFFAOYSA-N
MW1694.64 g/mol
LogP25.85
Rot. Bonds12

About 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine

1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine (PubChem CID 59711272) has the molecular formula C60H6F48N4 and a molecular weight of 1694.64 g/mol. Its IUPAC name is 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine
PubChem CID59711272
Molecular FormulaC60H6F48N4
Molecular Weight1694.64 g/mol
Exact Mass1693.98
IUPAC Name1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine
SMILESFc1c(F)c(F)c(N(c2cc(C(F)(F)F)c(N(c3cc(C(F)(F)F)c(N(c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4F)cc3C(F)(F)F)c3cc(C(F)(F)F)c(N(c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4F)cc3C(F)(F)F)cc2C(F)(F)F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C60H6F48N4/c61-19-25(67)37(79)49(38(80)26(19)68)110(50-39(81)27(69)20(62)28(70)40(50)82)16-4-7(55(91,92)93)13(1-10(16)58(100,101)102)109(14-2-11(59(103,104)105)17(5-8(14)56(94,95)96)111(51-41(83)29(71)21(63)30(72)42(51)84)52-43(85)31(73)22(64)32(74)44(52)86)15-3-12(60(106,107)108)18(6-9(15)57(97,98)99)112(53-45(87)33(75)23(65)34(76)46(53)88)54-47(89)35(77)24(66)36(78)48(54)90/h1-6H
InChIKeyHZWQSQOZVHIYQR-UHFFFAOYSA-N
XLogP25.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.64
LogP ≤ 525.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine (CID 59711272) is 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine is Fc1c(F)c(F)c(N(c2cc(C(F)(F)F)c(N(c3cc(C(F)(F)F)c(N(c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4F)cc3C(F)(F)F)c3cc(C(F)(F)F)c(N(c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4F)cc3C(F)(F)F)cc2C(F)(F)F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is HZWQSQOZVHIYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H6F48N4/c61-19-25(67)37(79)49(38(80)26(19)68)110(50-39(81)27(69)20(62)28(70)40(50)82)16-4-7(55(91,92)93)13(1-10(16)58(100,101)102)109(14-2-11(59(103,104)105)17(5-8(14)56(94,95)96)111(51-41(83)29(71)21(63)30(72)42(51)84)52-43(85)31(73)22(64)32(74)44(52)86)15-3-12(60(106,107)108)18(6-9(15)57(97,98)99)112(53-45(87)33(75)23(65)34(76)46(53)88)54-47(89)35(77)24(66)36(78)48(54)90/h1-6H.
What are the key properties of 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine?
1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 1694.64 g/mol, XLogP of 25.85, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 59711272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).