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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine

C177H72F84N14 — CID 160513252

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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine
SMILESFC(F)(F)c1cc(-c2cnc(-c3ccccc3)n2-c2ccc(N(c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)cc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)cc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)c2)cc1.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
InChIInChI=1S/C69H39F18N7.C60H6F48N4.C48H27F18N3/c70-64(71,72)46-28-43(29-47(34-46)65(73,74)75)58-37-88-61(40-10-4-1-5-11-40)92(58)55-22-16-52(17-23-55)91(53-18-24-56(25-19-53)93-59(38-89-62(93)41-12-6-2-7-13-41)44-30-48(66(76,77)78)35-49(31-44)67(79,80)81)54-20-26-57(27-21-54)94-60(39-90-63(94)42-14-8-3-9-15-42)45-32-50(68(82,83)84)36-51(33-45)69(85,86)87;61-19-25(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;49-43(50,51)28-1-13-34(14-2-28)67(35-15-3-29(4-16-35)44(52,53)54)40-25-41(68(36-17-5-30(6-18-36)45(55,56)57)37-19-7-31(8-20-37)46(58,59)60)27-42(26-40)69(38-21-9-32(10-22-38)47(61,62)63)39-23-11-33(12-24-39)48(64,65)66/h1-39H;1-6H;1-27H
InChIKeyQTHXDWXDWRXOAA-UHFFFAOYSA-N
MW3990.45 g/mol
LogP65.89
Rot. Bonds33

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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine

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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine (PubChem CID 160513252) has the molecular formula C177H72F84N14 and a molecular weight of 3990.45 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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine.

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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine
PubChem CID160513252
Molecular FormulaC177H72F84N14
Molecular Weight3990.45 g/mol
Exact Mass3988.47
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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine
SMILESFC(F)(F)c1cc(-c2cnc(-c3ccccc3)n2-c2ccc(N(c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)cc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)cc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)c2)cc1.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
InChIInChI=1S/C69H39F18N7.C60H6F48N4.C48H27F18N3/c70-64(71,72)46-28-43(29-47(34-46)65(73,74)75)58-37-88-61(40-10-4-1-5-11-40)92(58)55-22-16-52(17-23-55)91(53-18-24-56(25-19-53)93-59(38-89-62(93)41-12-6-2-7-13-41)44-30-48(66(76,77)78)35-49(31-44)67(79,80)81)54-20-26-57(27-21-54)94-60(39-90-63(94)42-14-8-3-9-15-42)45-32-50(68(82,83)84)36-51(33-45)69(85,86)87;61-19-25(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;49-43(50,51)28-1-13-34(14-2-28)67(35-15-3-29(4-16-35)44(52,53)54)40-25-41(68(36-17-5-30(6-18-36)45(55,56)57)37-19-7-31(8-20-37)46(58,59)60)27-42(26-40)69(38-21-9-32(10-22-38)47(61,62)63)39-23-11-33(12-24-39)48(64,65)66/h1-39H;1-6H;1-27H
InChIKeyQTHXDWXDWRXOAA-UHFFFAOYSA-N
XLogP65.89
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003990.45
LogP ≤ 565.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine with MolForge

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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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine?
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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine (CID 160513252) 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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine.
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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine?
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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine is FC(F)(F)c1cc(-c2cnc(-c3ccccc3)n2-c2ccc(N(c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)cc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)cc(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)c2)cc1.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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine?
The InChIKey is QTHXDWXDWRXOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H39F18N7.C60H6F48N4.C48H27F18N3/c70-64(71,72)46-28-43(29-47(34-46)65(73,74)75)58-37-88-61(40-10-4-1-5-11-40)92(58)55-22-16-52(17-23-55)91(53-18-24-56(25-19-53)93-59(38-89-62(93)41-12-6-2-7-13-41)44-30-48(66(76,77)78)35-49(31-44)67(79,80)81)54-20-26-57(27-21-54)94-60(39-90-63(94)42-14-8-3-9-15-42)45-32-50(68(82,83)84)36-51(33-45)69(85,86)87;61-19-25(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;49-43(50,51)28-1-13-34(14-2-28)67(35-15-3-29(4-16-35)44(52,53)54)40-25-41(68(36-17-5-30(6-18-36)45(55,56)57)37-19-7-31(8-20-37)46(58,59)60)27-42(26-40)69(38-21-9-32(10-22-38)47(61,62)63)39-23-11-33(12-24-39)48(64,65)66/h1-39H;1-6H;1-27H.
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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine?
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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine has a molecular weight of 3990.45 g/mol, XLogP of 65.89, 33 rotatable bonds, 0 hydrogen bond donors, and 14 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;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine is sourced from PubChem (CID 160513252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).