[1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum

C110H80F10N18Pt4-12 — CID 159285522

IUPAC[1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum
SMILESCC(C)(C(=[N-])/C(=C\Nc1[c-]cccc1)c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.CC(C)(C(=[N-])/C=C\Nc1[c-]cc(F)cc1F)c1ccn(-c2[c-]cc(F)cc2F)n1.[C-]#[N+]C(=CNc1[c-]cccc1)C(=[N-])C(C)(C)c1nn(-c2[c-]cccc2)cc1C#N.[N-]=C(/C=C\Nc1[c-]cc(C(F)(F)F)cc1)C(c1ccccc1)(c1ccccc1)c1ccn(-c2[c-]cc(C(F)(F)F)cc2)n1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C33H21F6N4.C33H27N4.C23H17N6.C21H15F4N4.4Pt/c34-32(35,36)25-11-15-27(16-12-25)41-21-19-29(40)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(42-30)28-17-13-26(14-18-28)33(37,38)39;1-33(2,31(34)29(25-15-7-3-8-16-25)23-35-27-19-11-5-12-20-27)32-30(26-17-9-4-10-18-26)24-37(36-32)28-21-13-6-14-22-28;1-23(2,21(25)20(26-3)15-27-18-10-6-4-7-11-18)22-17(14-24)16-29(28-22)19-12-8-5-9-13-19;1-21(2,19(26)7-9-27-17-5-3-13(22)11-15(17)24)20-8-10-29(28-20)18-6-4-14(23)12-16(18)25;;;;/h1-15,17,19-22,41H;3-19,21,23-24,35H,1-2H3;4-10,12,15-16,27H,1-2H3;3-4,7-12,27H,1-2H3;;;;/q4*-3;;;;/b21-19-;29-23-;;9-7-;;;;
InChIKeyPVSBUDLXGMMRPV-NBMSCDOOSA-N
MW2624.27 g/mol
LogP25.50
Rot. Bonds28

About [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum

[1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum (PubChem CID 159285522) has the molecular formula C110H80F10N18Pt4-12 and a molecular weight of 2624.27 g/mol. Its IUPAC name is [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum.

Molecular Properties

Compound Name[1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum
PubChem CID159285522
Molecular FormulaC110H80F10N18Pt4-12
Molecular Weight2624.27 g/mol
Exact Mass2622.53
IUPAC Name[1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum
SMILESCC(C)(C(=[N-])/C(=C\Nc1[c-]cccc1)c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.CC(C)(C(=[N-])/C=C\Nc1[c-]cc(F)cc1F)c1ccn(-c2[c-]cc(F)cc2F)n1.[C-]#[N+]C(=CNc1[c-]cccc1)C(=[N-])C(C)(C)c1nn(-c2[c-]cccc2)cc1C#N.[N-]=C(/C=C\Nc1[c-]cc(C(F)(F)F)cc1)C(c1ccccc1)(c1ccccc1)c1ccn(-c2[c-]cc(C(F)(F)F)cc2)n1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C33H21F6N4.C33H27N4.C23H17N6.C21H15F4N4.4Pt/c34-32(35,36)25-11-15-27(16-12-25)41-21-19-29(40)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(42-30)28-17-13-26(14-18-28)33(37,38)39;1-33(2,31(34)29(25-15-7-3-8-16-25)23-35-27-19-11-5-12-20-27)32-30(26-17-9-4-10-18-26)24-37(36-32)28-21-13-6-14-22-28;1-23(2,21(25)20(26-3)15-27-18-10-6-4-7-11-18)22-17(14-24)16-29(28-22)19-12-8-5-9-13-19;1-21(2,19(26)7-9-27-17-5-3-13(22)11-15(17)24)20-8-10-29(28-20)18-6-4-14(23)12-16(18)25;;;;/h1-15,17,19-22,41H;3-19,21,23-24,35H,1-2H3;4-10,12,15-16,27H,1-2H3;3-4,7-12,27H,1-2H3;;;;/q4*-3;;;;/b21-19-;29-23-;;9-7-;;;;
InChIKeyPVSBUDLXGMMRPV-NBMSCDOOSA-N
XLogP25.50
TPSA236.75 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002624.27
LogP ≤ 525.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum?
The IUPAC name of [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum (CID 159285522) is [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum.
What is the SMILES notation for [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum?
The canonical SMILES for [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum is CC(C)(C(=[N-])/C(=C\Nc1[c-]cccc1)c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.CC(C)(C(=[N-])/C=C\Nc1[c-]cc(F)cc1F)c1ccn(-c2[c-]cc(F)cc2F)n1.[C-]#[N+]C(=CNc1[c-]cccc1)C(=[N-])C(C)(C)c1nn(-c2[c-]cccc2)cc1C#N.[N-]=C(/C=C\Nc1[c-]cc(C(F)(F)F)cc1)C(c1ccccc1)(c1ccccc1)c1ccn(-c2[c-]cc(C(F)(F)F)cc2)n1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum?
The InChIKey is PVSBUDLXGMMRPV-NBMSCDOOSA-N. The full InChI is InChI=1S/C33H21F6N4.C33H27N4.C23H17N6.C21H15F4N4.4Pt/c34-32(35,36)25-11-15-27(16-12-25)41-21-19-29(40)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(42-30)28-17-13-26(14-18-28)33(37,38)39;1-33(2,31(34)29(25-15-7-3-8-16-25)23-35-27-19-11-5-12-20-27)32-30(26-17-9-4-10-18-26)24-37(36-32)28-21-13-6-14-22-28;1-23(2,21(25)20(26-3)15-27-18-10-6-4-7-11-18)22-17(14-24)16-29(28-22)19-12-8-5-9-13-19;1-21(2,19(26)7-9-27-17-5-3-13(22)11-15(17)24)20-8-10-29(28-20)18-6-4-14(23)12-16(18)25;;;;/h1-15,17,19-22,41H;3-19,21,23-24,35H,1-2H3;4-10,12,15-16,27H,1-2H3;3-4,7-12,27H,1-2H3;;;;/q4*-3;;;;/b21-19-;29-23-;;9-7-;;;;.
What are the key properties of [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum?
[1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum has a molecular weight of 2624.27 g/mol, XLogP of 25.50, 28 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(anilino)-4-(4-cyano-1-phenylpyrazol-3-yl)-2-isocyano-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1-(anilino)-4-methyl-2-phenyl-4-(4-phenyl-1-phenylpyrazol-3-yl)pent-1-en-3-ylidene]azanide;[(Z)-1-[(2,4-difluorobenzene-6-id-1-yl)amino]-4-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]-4-methylpent-1-en-3-ylidene]azanide;[(Z)-1,1-diphenyl-4-[[4-(trifluoromethyl)benzene-6-id-1-yl]amino]-1-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]but-3-en-2-ylidene]azanide;platinum is sourced from PubChem (CID 159285522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).