[4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum

C142H136ClN12O21PtS3- — CID 172946712

About [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum

[4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum (PubChem CID 172946712) has the molecular formula C142H136ClN12O21PtS3- and a molecular weight of 2673.44 g/mol. Its IUPAC name is [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum.

Molecular Properties

• Compound Name: [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum
• PubChem CID: 172946712
• Molecular Formula: C142H136ClN12O21PtS3-
• Molecular Weight: 2673.44 g/mol
• Exact Mass: 2670.84
• IUPAC Name: [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum
• SMILES: CCC1(COCCCCCCOc2ccc3cc(C(=O)Oc4ccc(OCc5cc[c-]cc5)c(Cl)c4)ccc3c2/C=N/N(c2nc3ccccc3s2)c2nc3ccccc3s2)COC1.Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccc4cc(OCCCOCC5CCC6OC6C5)ccc4c3)c(C)c2)c(/C=N/N(CCO)c2nc3ccccc3s2)c1.[C-]#[N+]c1cc(C(=O)O[C@H]2CCC(C)CC2/C=N/Nc2nncc3ccccc23)ccc1OC(=O)c1ccc2cc(OCCCCCCOC(=O)C(=C)C)ccc2c1.[Pt]
• InChI: InChI=1S/C51H46ClN4O6S2.C46H45N3O8S.C45H45N5O7.Pt/c1-2-51(33-59-34-51)32-58-26-12-3-4-13-27-60-44-24-21-36-28-37(48(57)62-38-22-25-45(41(52)29-38)61-31-35-14-6-5-7-15-35)20-23-39(36)40(44)30-53-56(49-54-42-16-8-10-18-46(42)63-49)50-55-43-17-9-11-19-47(43)64-50;1-29-8-15-40(36(22-29)27-47-49(18-19-50)46-48-38-6-3-4-7-43(38)58-46)57-44(51)34-13-17-39(30(2)23-34)56-45(52)35-11-10-33-26-37(14-12-32(33)25-35)54-21-5-20-53-28-31-9-16-41-42(24-31)55-41;1-29(2)43(51)55-22-10-6-5-9-21-54-37-18-16-31-24-33(15-14-32(31)25-37)44(52)57-41-20-17-34(26-39(41)46-4)45(53)56-40-19-13-30(3)23-36(40)28-48-50-42-38-12-8-7-11-35(38)27-47-49-42;/h6-11,14-25,28-30H,2-4,12-13,26-27,31-34H2,1H3;3-4,6-8,10-15,17,22-23,25-27,31,41-42,50H,5,9,16,18-21,24,28H2,1-2H3;7-8,11-12,14-18,20,24-28,30,36,40H,1,5-6,9-10,13,19,21-23H2,2-3H3,(H,49,50);/q-1;;;/b53-30+;47-27+;48-28+;/t;;30?,36?,40-;/m..0./s1
• InChIKey: HUIZDNFKSMDITD-CMCRHODTSA-N
• XLogP: 31.22
• TPSA: 379.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 52
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2673.44
LogP ≤ 5	31.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum?

The IUPAC name of [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum (CID 172946712) is [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum.

What is the SMILES notation for [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum?

The canonical SMILES for [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum is CCC1(COCCCCCCOc2ccc3cc(C(=O)Oc4ccc(OCc5cc[c-]cc5)c(Cl)c4)ccc3c2/C=N/N(c2nc3ccccc3s2)c2nc3ccccc3s2)COC1.Cc1ccc(OC(=O)c2ccc(OC(=O)c3ccc4cc(OCCCOCC5CCC6OC6C5)ccc4c3)c(C)c2)c(/C=N/N(CCO)c2nc3ccccc3s2)c1.[C-]#[N+]c1cc(C(=O)O[C@H]2CCC(C)CC2/C=N/Nc2nncc3ccccc23)ccc1OC(=O)c1ccc2cc(OCCCCCCOC(=O)C(=C)C)ccc2c1.[Pt].

What is the InChIKey of [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum?

The InChIKey is HUIZDNFKSMDITD-CMCRHODTSA-N. The full InChI is InChI=1S/C51H46ClN4O6S2.C46H45N3O8S.C45H45N5O7.Pt/c1-2-51(33-59-34-51)32-58-26-12-3-4-13-27-60-44-24-21-36-28-37(48(57)62-38-22-25-45(41(52)29-38)61-31-35-14-6-5-7-15-35)20-23-39(36)40(44)30-53-56(49-54-42-16-8-10-18-46(42)63-49)50-55-43-17-9-11-19-47(43)64-50;1-29-8-15-40(36(22-29)27-47-49(18-19-50)46-48-38-6-3-4-7-43(38)58-46)57-44(51)34-13-17-39(30(2)23-34)56-45(52)35-11-10-33-26-37(14-12-32(33)25-35)54-21-5-20-53-28-31-9-16-41-42(24-31)55-41;1-29(2)43(51)55-22-10-6-5-9-21-54-37-18-16-31-24-33(15-14-32(31)25-37)44(52)57-41-20-17-34(26-39(41)46-4)45(53)56-40-19-13-30(3)23-36(40)28-48-50-42-38-12-8-7-11-35(38)27-47-49-42;/h6-11,14-25,28-30H,2-4,12-13,26-27,31-34H2,1H3;3-4,6-8,10-15,17,22-23,25-27,31,41-42,50H,5,9,16,18-21,24,28H2,1-2H3;7-8,11-12,14-18,20,24-28,30,36,40H,1,5-6,9-10,13,19,21-23H2,2-3H3,(H,49,50);/q-1;;;/b53-30+;47-27+;48-28+;/t;;30?,36?,40-;/m..0./s1.

What are the key properties of [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum?

[4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum has a molecular weight of 2673.44 g/mol, XLogP of 31.22, 52 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[(E)-[1,3-benzothiazol-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]-4-methylphenoxy]carbonyl-2-methylphenyl] 6-[3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)propoxy]naphthalene-2-carboxylate;[3-chloro-4-(phenylmethoxy)phenyl] 5-[(E)-[bis(1,3-benzothiazol-2-yl)hydrazinylidene]methyl]-6-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]naphthalene-2-carboxylate;[2-isocyano-4-[(1S)-4-methyl-2-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]cyclohexyl]oxycarbonylphenyl] 6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalene-2-carboxylate;platinum is sourced from PubChem (CID 172946712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).