[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane

C282H306F24N30O43S5 — CID 160981641

IUPAC[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane
SMILESC.C.C.C.C.C.C.C.C.C.CN(C)c1cc(-c2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1.CN(C)c1cc(-c2ccc(NC(=O)c3cccs3)c(N(C)C)c2)ccc1NCOc1cccs1.CN(C)c1cc(-c2ccc(OC(=O)c3ccco3)c(N(C)C)c2)ccc1OC(=O)c1ccco1.CN(C)c1cc(-c2ccc(OCc3ccco3)c(N(C)C)c2)ccc1OCc1ccco1.CN(C)c1cc(C(c2ccc(OC(=O)c3ccc[nH]3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1ccc[nH]1.CN(C)c1cc(C(c2ccc(OC(=O)c3ccco3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1ccco1.CN(C)c1cc(C(c2ccc(OC(=O)c3cccs3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1cccs1.CN(C)c1cc(C(c2ccc(OCc3ccco3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccco1.CN(C)c1cc(Oc2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1.CN(C)c1cc(Sc2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1
InChIInChI=1S/C29H26F6N4O4.C29H24F6N2O6.C29H24F6N2O4S2.C29H28F6N2O4.C26H28N4O5.C26H28N4O4S.C26H28N4O4.C26H28N4O2S2.C26H24N2O6.C26H28N2O4.10CH4/c1-38(2)21-15-17(9-11-23(21)42-25(40)19-7-5-13-36-19)27(28(30,31)32,29(33,34)35)18-10-12-24(22(16-18)39(3)4)43-26(41)20-8-6-14-37-20;1-36(2)19-15-17(9-11-21(19)42-25(38)23-7-5-13-40-23)27(28(30,31)32,29(33,34)35)18-10-12-22(20(16-18)37(3)4)43-26(39)24-8-6-14-41-24;1-36(2)19-15-17(9-11-21(19)40-25(38)23-7-5-13-42-23)27(28(30,31)32,29(33,34)35)18-10-12-22(20(16-18)37(3)4)41-26(39)24-8-6-14-43-24;1-36(2)23-15-19(9-11-25(23)40-17-21-7-5-13-38-21)27(28(30,31)32,29(33,34)35)20-10-12-26(24(16-20)37(3)4)41-18-22-8-6-14-39-22;2*1-29(2)22-15-18(9-11-20(22)27-17-34-25-8-6-14-33-25)35-19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-32-24;1-29(2)22-15-18(9-11-20(22)27-17-34-25-8-6-14-33-25)19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-32-24;1-29(2)22-15-18(9-11-20(22)27-17-32-25-8-6-14-34-25)19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-33-24;1-27(2)19-15-17(9-11-21(19)33-25(29)23-7-5-13-31-23)18-10-12-22(20(16-18)28(3)4)34-26(30)24-8-6-14-32-24;1-27(2)23-15-19(9-11-25(23)31-17-21-7-5-13-29-21)20-10-12-26(24(16-20)28(3)4)32-18-22-8-6-14-30-22;;;;;;;;;;/h5-16,36-37H,1-4H3;2*5-16H,1-4H3;5-16H,17-18H2,1-4H3;2*5-16,27H,17H2,1-4H3,(H,28,31);2*5-16,27H,17H2,1-4H3,(H,28,31);5-16H,1-4H3;5-16H,17-18H2,1-4H3;10*1H4
InChIKeySZPBVXUFHWBPFW-UHFFFAOYSA-N
MW5420.00 g/mol
LogP68.88
Rot. Bonds88

About [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane

[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane (PubChem CID 160981641) has the molecular formula C282H306F24N30O43S5 and a molecular weight of 5420.00 g/mol. Its IUPAC name is [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane.

Molecular Properties

Compound Name[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane
PubChem CID160981641
Molecular FormulaC282H306F24N30O43S5
Molecular Weight5420.00 g/mol
Exact Mass5416.09
IUPAC Name[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane
SMILESC.C.C.C.C.C.C.C.C.C.CN(C)c1cc(-c2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1.CN(C)c1cc(-c2ccc(NC(=O)c3cccs3)c(N(C)C)c2)ccc1NCOc1cccs1.CN(C)c1cc(-c2ccc(OC(=O)c3ccco3)c(N(C)C)c2)ccc1OC(=O)c1ccco1.CN(C)c1cc(-c2ccc(OCc3ccco3)c(N(C)C)c2)ccc1OCc1ccco1.CN(C)c1cc(C(c2ccc(OC(=O)c3ccc[nH]3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1ccc[nH]1.CN(C)c1cc(C(c2ccc(OC(=O)c3ccco3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1ccco1.CN(C)c1cc(C(c2ccc(OC(=O)c3cccs3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1cccs1.CN(C)c1cc(C(c2ccc(OCc3ccco3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccco1.CN(C)c1cc(Oc2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1.CN(C)c1cc(Sc2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1
InChIInChI=1S/C29H26F6N4O4.C29H24F6N2O6.C29H24F6N2O4S2.C29H28F6N2O4.C26H28N4O5.C26H28N4O4S.C26H28N4O4.C26H28N4O2S2.C26H24N2O6.C26H28N2O4.10CH4/c1-38(2)21-15-17(9-11-23(21)42-25(40)19-7-5-13-36-19)27(28(30,31)32,29(33,34)35)18-10-12-24(22(16-18)39(3)4)43-26(41)20-8-6-14-37-20;1-36(2)19-15-17(9-11-21(19)42-25(38)23-7-5-13-40-23)27(28(30,31)32,29(33,34)35)18-10-12-22(20(16-18)37(3)4)43-26(39)24-8-6-14-41-24;1-36(2)19-15-17(9-11-21(19)40-25(38)23-7-5-13-42-23)27(28(30,31)32,29(33,34)35)18-10-12-22(20(16-18)37(3)4)41-26(39)24-8-6-14-43-24;1-36(2)23-15-19(9-11-25(23)40-17-21-7-5-13-38-21)27(28(30,31)32,29(33,34)35)20-10-12-26(24(16-20)37(3)4)41-18-22-8-6-14-39-22;2*1-29(2)22-15-18(9-11-20(22)27-17-34-25-8-6-14-33-25)35-19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-32-24;1-29(2)22-15-18(9-11-20(22)27-17-34-25-8-6-14-33-25)19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-32-24;1-29(2)22-15-18(9-11-20(22)27-17-32-25-8-6-14-34-25)19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-33-24;1-27(2)19-15-17(9-11-21(19)33-25(29)23-7-5-13-31-23)18-10-12-22(20(16-18)28(3)4)34-26(30)24-8-6-14-32-24;1-27(2)23-15-19(9-11-25(23)31-17-21-7-5-13-29-21)20-10-12-26(24(16-20)28(3)4)32-18-22-8-6-14-30-22;;;;;;;;;;/h5-16,36-37H,1-4H3;2*5-16H,1-4H3;5-16H,17-18H2,1-4H3;2*5-16,27H,17H2,1-4H3,(H,28,31);2*5-16,27H,17H2,1-4H3,(H,28,31);5-16H,1-4H3;5-16H,17-18H2,1-4H3;10*1H4
InChIKeySZPBVXUFHWBPFW-UHFFFAOYSA-N
XLogP68.88
TPSA738.33 Ų
H-Bond Donors10
H-Bond Acceptors72
Rotatable Bonds88
Heavy Atoms384
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005420.00
LogP ≤ 568.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1072

Analyze [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane?
The IUPAC name of [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane (CID 160981641) is [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane.
What is the SMILES notation for [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane?
The canonical SMILES for [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane is C.C.C.C.C.C.C.C.C.C.CN(C)c1cc(-c2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1.CN(C)c1cc(-c2ccc(NC(=O)c3cccs3)c(N(C)C)c2)ccc1NCOc1cccs1.CN(C)c1cc(-c2ccc(OC(=O)c3ccco3)c(N(C)C)c2)ccc1OC(=O)c1ccco1.CN(C)c1cc(-c2ccc(OCc3ccco3)c(N(C)C)c2)ccc1OCc1ccco1.CN(C)c1cc(C(c2ccc(OC(=O)c3ccc[nH]3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1ccc[nH]1.CN(C)c1cc(C(c2ccc(OC(=O)c3ccco3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1ccco1.CN(C)c1cc(C(c2ccc(OC(=O)c3cccs3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)c1cccs1.CN(C)c1cc(C(c2ccc(OCc3ccco3)c(N(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccco1.CN(C)c1cc(Oc2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1.CN(C)c1cc(Sc2ccc(NC(=O)c3ccco3)c(N(C)C)c2)ccc1NCOc1ccco1.
What is the InChIKey of [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane?
The InChIKey is SZPBVXUFHWBPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O4.C29H24F6N2O6.C29H24F6N2O4S2.C29H28F6N2O4.C26H28N4O5.C26H28N4O4S.C26H28N4O4.C26H28N4O2S2.C26H24N2O6.C26H28N2O4.10CH4/c1-38(2)21-15-17(9-11-23(21)42-25(40)19-7-5-13-36-19)27(28(30,31)32,29(33,34)35)18-10-12-24(22(16-18)39(3)4)43-26(41)20-8-6-14-37-20;1-36(2)19-15-17(9-11-21(19)42-25(38)23-7-5-13-40-23)27(28(30,31)32,29(33,34)35)18-10-12-22(20(16-18)37(3)4)43-26(39)24-8-6-14-41-24;1-36(2)19-15-17(9-11-21(19)40-25(38)23-7-5-13-42-23)27(28(30,31)32,29(33,34)35)18-10-12-22(20(16-18)37(3)4)41-26(39)24-8-6-14-43-24;1-36(2)23-15-19(9-11-25(23)40-17-21-7-5-13-38-21)27(28(30,31)32,29(33,34)35)20-10-12-26(24(16-20)37(3)4)41-18-22-8-6-14-39-22;2*1-29(2)22-15-18(9-11-20(22)27-17-34-25-8-6-14-33-25)35-19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-32-24;1-29(2)22-15-18(9-11-20(22)27-17-34-25-8-6-14-33-25)19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-32-24;1-29(2)22-15-18(9-11-20(22)27-17-32-25-8-6-14-34-25)19-10-12-21(23(16-19)30(3)4)28-26(31)24-7-5-13-33-24;1-27(2)19-15-17(9-11-21(19)33-25(29)23-7-5-13-31-23)18-10-12-22(20(16-18)28(3)4)34-26(30)24-8-6-14-32-24;1-27(2)23-15-19(9-11-25(23)31-17-21-7-5-13-29-21)20-10-12-26(24(16-20)28(3)4)32-18-22-8-6-14-30-22;;;;;;;;;;/h5-16,36-37H,1-4H3;2*5-16H,1-4H3;5-16H,17-18H2,1-4H3;2*5-16,27H,17H2,1-4H3,(H,28,31);2*5-16,27H,17H2,1-4H3,(H,28,31);5-16H,1-4H3;5-16H,17-18H2,1-4H3;10*1H4.
What are the key properties of [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane?
[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane has a molecular weight of 5420.00 g/mol, XLogP of 68.88, 88 rotatable bonds, 10 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] furan-2-carboxylate;[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-carbonyloxy)phenyl]phenyl] furan-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenoxy]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]phenyl]furan-2-carboxamide;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(furan-2-yloxymethylamino)phenyl]sulfanylphenyl]furan-2-carboxamide;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(1H-pyrrole-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 1H-pyrrole-2-carboxylate;[2-(dimethylamino)-4-[2-[3-(dimethylamino)-4-(thiophene-2-carbonyloxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] thiophene-2-carboxylate;N-[2-(dimethylamino)-4-[3-(dimethylamino)-4-(thiophen-2-yloxymethylamino)phenyl]phenyl]thiophene-2-carboxamide;5-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;5-[2-[3-(dimethylamino)-4-(furan-2-ylmethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(furan-2-ylmethoxy)-N,N-dimethylaniline;methane is sourced from PubChem (CID 160981641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).