2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))

C359H323F18N43O36Ru6S2 — CID 158978517

IUPAC2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))
SMILESCC(C)(C)c1c[c-]c(-c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2nc(-c3cc(C(F)(F)F)n[n-]3)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1.CC(C)(C)c1c[c-]c(-c2nc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CCCCCCc1ccsc1-c1cc(-c2[c-]cc(C(C)(C)C)cc2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2[c-]cc(C(C)(C)C)cc2)n1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C45H45F3N4.C44H44F3N5.C39H41F3N4.C38H40F3N5.C29H30F3N3S.C28H29F3N4S.2C24H17N3O6.4C22H15N3O6.6Ru/c1-42(2,3)32-14-10-30(11-15-32)38-26-31(27-39(49-38)40-28-41(51-50-40)45(46,47)48)29-12-20-35(21-13-29)52(36-22-16-33(17-23-36)43(4,5)6)37-24-18-34(19-25-37)44(7,8)9;1-41(2,3)30-14-10-29(11-15-30)40-48-36(26-37(49-40)38-27-39(51-50-38)44(45,46)47)28-12-20-33(21-13-28)52(34-22-16-31(17-23-34)42(4,5)6)35-24-18-32(19-25-35)43(7,8)9;1-36(2,3)26-12-10-25(11-13-26)32-22-31(23-33(43-32)34-24-35(45-44-34)39(40,41)42)46(29-18-14-27(15-19-29)37(4,5)6)30-20-16-28(17-21-30)38(7,8)9;1-35(2,3)25-12-10-24(11-13-25)34-42-30(31-22-32(45-44-31)38(39,40)41)23-33(43-34)46(28-18-14-26(15-19-28)36(4,5)6)29-20-16-27(17-21-29)37(7,8)9;1-5-6-7-8-9-20-14-15-36-27(20)21-16-23(19-10-12-22(13-11-19)28(2,3)4)33-24(17-21)25-18-26(35-34-25)29(30,31)32;1-5-6-7-8-9-18-14-15-36-25(18)23-16-21(22-17-24(35-34-22)28(29,30)31)32-26(33-23)19-10-12-20(13-11-19)27(2,3)4;2*28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;4*26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;;;;;;/h10,12-28H,1-9H3;10,12-27H,1-9H3;10,12-24H,1-9H3;10,12-23H,1-9H3;10,12-18H,5-9H2,1-4H3;10,12-17H,5-9H2,1-4H3;2*1-17H;4*1-15H;;;;;;/q6*-2;;;;;;;6*+2/b;;;;;;2*8-3+,9-4+,10-5+;4*7-3+,8-4+;;;;;;
InChIKeyYOMAUTTZBPRKHK-GBNRQXNBSA-N
MW6828.32 g/mol
LogP82.16
Rot. Bonds100

About 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))

2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)) (PubChem CID 158978517) has the molecular formula C359H323F18N43O36Ru6S2 and a molecular weight of 6828.32 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)).

Molecular Properties

Compound Name2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))
PubChem CID158978517
Molecular FormulaC359H323F18N43O36Ru6S2
Molecular Weight6828.32 g/mol
Exact Mass6828.82
IUPAC Name2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))
SMILESCC(C)(C)c1c[c-]c(-c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2nc(-c3cc(C(F)(F)F)n[n-]3)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1.CC(C)(C)c1c[c-]c(-c2nc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CCCCCCc1ccsc1-c1cc(-c2[c-]cc(C(C)(C)C)cc2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2[c-]cc(C(C)(C)C)cc2)n1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C45H45F3N4.C44H44F3N5.C39H41F3N4.C38H40F3N5.C29H30F3N3S.C28H29F3N4S.2C24H17N3O6.4C22H15N3O6.6Ru/c1-42(2,3)32-14-10-30(11-15-32)38-26-31(27-39(49-38)40-28-41(51-50-40)45(46,47)48)29-12-20-35(21-13-29)52(36-22-16-33(17-23-36)43(4,5)6)37-24-18-34(19-25-37)44(7,8)9;1-41(2,3)30-14-10-29(11-15-30)40-48-36(26-37(49-40)38-27-39(51-50-38)44(45,46)47)28-12-20-33(21-13-28)52(34-22-16-31(17-23-34)42(4,5)6)35-24-18-32(19-25-35)43(7,8)9;1-36(2,3)26-12-10-25(11-13-26)32-22-31(23-33(43-32)34-24-35(45-44-34)39(40,41)42)46(29-18-14-27(15-19-29)37(4,5)6)30-20-16-28(17-21-30)38(7,8)9;1-35(2,3)25-12-10-24(11-13-25)34-42-30(31-22-32(45-44-31)38(39,40)41)23-33(43-34)46(28-18-14-26(15-19-28)36(4,5)6)29-20-16-27(17-21-29)37(7,8)9;1-5-6-7-8-9-20-14-15-36-27(20)21-16-23(19-10-12-22(13-11-19)28(2,3)4)33-24(17-21)25-18-26(35-34-25)29(30,31)32;1-5-6-7-8-9-18-14-15-36-25(18)23-16-21(22-17-24(35-34-22)28(29,30)31)32-26(33-23)19-10-12-20(13-11-19)27(2,3)4;2*28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;4*26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;;;;;;/h10,12-28H,1-9H3;10,12-27H,1-9H3;10,12-24H,1-9H3;10,12-23H,1-9H3;10,12-18H,5-9H2,1-4H3;10,12-17H,5-9H2,1-4H3;2*1-17H;4*1-15H;;;;;;/q6*-2;;;;;;;6*+2/b;;;;;;2*8-3+,9-4+,10-5+;4*7-3+,8-4+;;;;;;
InChIKeyYOMAUTTZBPRKHK-GBNRQXNBSA-N
XLogP82.16
TPSA996.33 Ų
H-Bond Donors
H-Bond Acceptors75
Rotatable Bonds100
Heavy Atoms464
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006828.32
LogP ≤ 582.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1075

Analyze 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)) with MolForge

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What is the IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))?
The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)) (CID 158978517) is 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)).
What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))?
The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)) is CC(C)(C)c1c[c-]c(-c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2nc(-c3cc(C(F)(F)F)n[n-]3)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1.CC(C)(C)c1c[c-]c(-c2nc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CCCCCCc1ccsc1-c1cc(-c2[c-]cc(C(C)(C)C)cc2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2[c-]cc(C(C)(C)C)cc2)n1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))?
The InChIKey is YOMAUTTZBPRKHK-GBNRQXNBSA-N. The full InChI is InChI=1S/C45H45F3N4.C44H44F3N5.C39H41F3N4.C38H40F3N5.C29H30F3N3S.C28H29F3N4S.2C24H17N3O6.4C22H15N3O6.6Ru/c1-42(2,3)32-14-10-30(11-15-32)38-26-31(27-39(49-38)40-28-41(51-50-40)45(46,47)48)29-12-20-35(21-13-29)52(36-22-16-33(17-23-36)43(4,5)6)37-24-18-34(19-25-37)44(7,8)9;1-41(2,3)30-14-10-29(11-15-30)40-48-36(26-37(49-40)38-27-39(51-50-38)44(45,46)47)28-12-20-33(21-13-28)52(34-22-16-31(17-23-34)42(4,5)6)35-24-18-32(19-25-35)43(7,8)9;1-36(2,3)26-12-10-25(11-13-26)32-22-31(23-33(43-32)34-24-35(45-44-34)39(40,41)42)46(29-18-14-27(15-19-29)37(4,5)6)30-20-16-28(17-21-30)38(7,8)9;1-35(2,3)25-12-10-24(11-13-25)34-42-30(31-22-32(45-44-31)38(39,40)41)23-33(43-34)46(28-18-14-26(15-19-28)36(4,5)6)29-20-16-27(17-21-29)37(7,8)9;1-5-6-7-8-9-20-14-15-36-27(20)21-16-23(19-10-12-22(13-11-19)28(2,3)4)33-24(17-21)25-18-26(35-34-25)29(30,31)32;1-5-6-7-8-9-18-14-15-36-25(18)23-16-21(22-17-24(35-34-22)28(29,30)31)32-26(33-23)19-10-12-20(13-11-19)27(2,3)4;2*28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;4*26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;;;;;;/h10,12-28H,1-9H3;10,12-27H,1-9H3;10,12-24H,1-9H3;10,12-23H,1-9H3;10,12-18H,5-9H2,1-4H3;10,12-17H,5-9H2,1-4H3;2*1-17H;4*1-15H;;;;;;/q6*-2;;;;;;;6*+2/b;;;;;;2*8-3+,9-4+,10-5+;4*7-3+,8-4+;;;;;;.
What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+))?
2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)) has a molecular weight of 6828.32 g/mol, XLogP of 82.16, 100 rotatable bonds, 0 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-N,N-bis(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-amine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]-N,N-bis(4-tert-butylphenyl)aniline;4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;bis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);tetrakis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+)) is sourced from PubChem (CID 158978517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).