bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride

C190H183Cl5F21I3N27O8P3 — CID 160891671

IUPACbis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride
SMILESC.C.C#Cc1cnc2cccnn12.CI.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1I.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(P)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)O)cc1I.Cc1ccc(N)cc1C(F)(F)F.Cl.PN(CCCl)CCCl.PN(CCCl)CCCl
InChIInChI=1S/C30H28F3N5O.C29H27F3N5OP.C29H26F3N5O.2C25H18F3N3O.C17H14F3IO.C8H8F3N.C8H7IO2.C8H5N3.2C4H10Cl2NP.CH3I.2CH4.ClH/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-20-4-6-23(17-22(20)8-9-25-18-33-28-3-2-10-34-37(25)28)27(38)16-21-5-7-24(26(15-21)29(30,31)32)19-35-11-13-36(39)14-12-35;1-20-4-6-23(17-22(20)8-9-25-18-34-28-3-2-10-35-37(25)28)27(38)16-21-5-7-24(26(15-21)29(30,31)32)19-36-13-11-33-12-14-36;2*1-16-6-8-20(23(32)13-18-7-5-17(2)22(12-18)25(26,27)28)14-19(16)9-10-21-15-29-24-4-3-11-30-31(21)24;1-10-3-5-12(7-14(10)17(18,19)20)8-16(22)13-6-4-11(2)15(21)9-13;1-5-2-3-6(12)4-7(5)8(9,10)11;1-5-2-3-6(8(10)11)4-7(5)9;1-2-7-6-9-8-4-3-5-10-11(7)8;2*5-1-3-7(8)4-2-6;1-2;;;/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;2-7,10,15,17-18H,11-14,16,19,39H2,1H3;2-7,10,15,17-18,33H,11-14,16,19H2,1H3;2*3-8,11-12,14-15H,13H2,1-2H3;3-7,9H,8H2,1-2H3;2-4H,12H2,1H3;2-4H,1H3,(H,10,11);1,3-6H;2*1-4,8H2;1H3;2*1H4;1H
InChIKeyOEIRIQZZZSUNNU-UHFFFAOYSA-N
MW4022.59 g/mol
LogP40.90
Rot. Bonds33

About bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride

bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride (PubChem CID 160891671) has the molecular formula C190H183Cl5F21I3N27O8P3 and a molecular weight of 4022.59 g/mol. Its IUPAC name is bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Namebis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride
PubChem CID160891671
Molecular FormulaC190H183Cl5F21I3N27O8P3
Molecular Weight4022.59 g/mol
Exact Mass4017.92
IUPAC Namebis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride
SMILESC.C.C#Cc1cnc2cccnn12.CI.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1I.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(P)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)O)cc1I.Cc1ccc(N)cc1C(F)(F)F.Cl.PN(CCCl)CCCl.PN(CCCl)CCCl
InChIInChI=1S/C30H28F3N5O.C29H27F3N5OP.C29H26F3N5O.2C25H18F3N3O.C17H14F3IO.C8H8F3N.C8H7IO2.C8H5N3.2C4H10Cl2NP.CH3I.2CH4.ClH/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-20-4-6-23(17-22(20)8-9-25-18-33-28-3-2-10-34-37(25)28)27(38)16-21-5-7-24(26(15-21)29(30,31)32)19-35-11-13-36(39)14-12-35;1-20-4-6-23(17-22(20)8-9-25-18-34-28-3-2-10-35-37(25)28)27(38)16-21-5-7-24(26(15-21)29(30,31)32)19-36-13-11-33-12-14-36;2*1-16-6-8-20(23(32)13-18-7-5-17(2)22(12-18)25(26,27)28)14-19(16)9-10-21-15-29-24-4-3-11-30-31(21)24;1-10-3-5-12(7-14(10)17(18,19)20)8-16(22)13-6-4-11(2)15(21)9-13;1-5-2-3-6(12)4-7(5)8(9,10)11;1-5-2-3-6(8(10)11)4-7(5)9;1-2-7-6-9-8-4-3-5-10-11(7)8;2*5-1-3-7(8)4-2-6;1-2;;;/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;2-7,10,15,17-18H,11-14,16,19,39H2,1H3;2-7,10,15,17-18,33H,11-14,16,19H2,1H3;2*3-8,11-12,14-15H,13H2,1-2H3;3-7,9H,8H2,1-2H3;2-4H,12H2,1H3;2-4H,1H3,(H,10,11);1,3-6H;2*1-4,8H2;1H3;2*1H4;1H
InChIKeyOEIRIQZZZSUNNU-UHFFFAOYSA-N
XLogP40.90
TPSA381.59 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004022.59
LogP ≤ 540.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride (CID 160891671) is bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride is C.C.C#Cc1cnc2cccnn12.CI.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(C)c(C(F)(F)F)c2)cc1I.Cc1ccc(C(=O)Cc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCN(P)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)Cc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cc1ccc(C(=O)O)cc1I.Cc1ccc(N)cc1C(F)(F)F.Cl.PN(CCCl)CCCl.PN(CCCl)CCCl.
What is the InChIKey of bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is OEIRIQZZZSUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O.C29H27F3N5OP.C29H26F3N5O.2C25H18F3N3O.C17H14F3IO.C8H8F3N.C8H7IO2.C8H5N3.2C4H10Cl2NP.CH3I.2CH4.ClH/c1-21-5-7-24(18-23(21)9-10-26-19-34-29-4-3-11-35-38(26)29)28(39)17-22-6-8-25(27(16-22)30(31,32)33)20-37-14-12-36(2)13-15-37;1-20-4-6-23(17-22(20)8-9-25-18-33-28-3-2-10-34-37(25)28)27(38)16-21-5-7-24(26(15-21)29(30,31)32)19-35-11-13-36(39)14-12-35;1-20-4-6-23(17-22(20)8-9-25-18-34-28-3-2-10-35-37(25)28)27(38)16-21-5-7-24(26(15-21)29(30,31)32)19-36-13-11-33-12-14-36;2*1-16-6-8-20(23(32)13-18-7-5-17(2)22(12-18)25(26,27)28)14-19(16)9-10-21-15-29-24-4-3-11-30-31(21)24;1-10-3-5-12(7-14(10)17(18,19)20)8-16(22)13-6-4-11(2)15(21)9-13;1-5-2-3-6(12)4-7(5)8(9,10)11;1-5-2-3-6(8(10)11)4-7(5)9;1-2-7-6-9-8-4-3-5-10-11(7)8;2*5-1-3-7(8)4-2-6;1-2;;;/h3-8,11,16,18-19H,12-15,17,20H2,1-2H3;2-7,10,15,17-18H,11-14,16,19,39H2,1H3;2-7,10,15,17-18,33H,11-14,16,19H2,1H3;2*3-8,11-12,14-15H,13H2,1-2H3;3-7,9H,8H2,1-2H3;2-4H,12H2,1H3;2-4H,1H3,(H,10,11);1,3-6H;2*1-4,8H2;1H3;2*1H4;1H.
What are the key properties of bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride?
bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 4022.59 g/mol, XLogP of 40.90, 33 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-N-(2-chloroethyl)-N-phosphanylethanamine);3-ethynylimidazo[1,2-b]pyridazine;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;bis(1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone);1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-phosphanylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;iodomethane;3-iodo-4-methylbenzoic acid;1-(3-iodo-4-methylphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 160891671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).