potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde

C65H59FKO6PS8 — CID 158605336

About potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde

potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde (PubChem CID 158605336) has the molecular formula C65H59FKO6PS8 and a molecular weight of 1282.79 g/mol. Its IUPAC name is potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde.

Molecular Properties

• Compound Name: potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde
• PubChem CID: 158605336
• Molecular Formula: C65H59FKO6PS8
• Molecular Weight: 1282.79 g/mol
• Exact Mass: 1281.15
• IUPAC Name: potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde
• SMILES: CC(C)(C)[O-].CCOCC.Cc1ccc(/C=C/c2cc3sc4cc5c(cc4c3s2)sc2cc(/C=C/c3ccc(C)cc3)sc25)cc1.Cc1ccc(COP=O)cc1.O=Cc1cc2sc3cc4c(cc3c2s1)sc1cc(C=O)sc14.[2H]CF.[K+]
• InChI: InChI=1S/C32H22S4.C16H6O2S4.C8H9O2P.C4H9O.C4H10O.CH3F.K/c1-19-3-7-21(8-4-19)11-13-23-15-29-31(33-23)25-17-28-26(18-27(25)35-29)32-30(36-28)16-24(34-32)14-12-22-9-5-20(2)6-10-22;17-5-7-1-13-15(19-7)9-3-12-10(4-11(9)21-13)16-14(22-12)2-8(6-18)20-16;1-7-2-4-8(5-3-7)6-10-11-9;1-4(2,3)5;1-3-5-4-2;1-2;/h3-18H,1-2H3;1-6H;2-5H,6H2,1H3;1-3H3;3-4H2,1-2H3;1H3;/q;;;-1;;;+1/b13-11+,14-12+;;;;;;/i;;;;;1D
• InChIKey: HWDNYDWBCWHYHU-XJKBYVMJSA-N
• XLogP: 19.17
• TPSA: 92.73 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.79
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde?

The IUPAC name of potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde (CID 158605336) is potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde.

What is the SMILES notation for potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde?

The canonical SMILES for potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde is CC(C)(C)[O-].CCOCC.Cc1ccc(/C=C/c2cc3sc4cc5c(cc4c3s2)sc2cc(/C=C/c3ccc(C)cc3)sc25)cc1.Cc1ccc(COP=O)cc1.O=Cc1cc2sc3cc4c(cc3c2s1)sc1cc(C=O)sc14.[2H]CF.[K+].

What is the InChIKey of potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde?

The InChIKey is HWDNYDWBCWHYHU-XJKBYVMJSA-N. The full InChI is InChI=1S/C32H22S4.C16H6O2S4.C8H9O2P.C4H9O.C4H10O.CH3F.K/c1-19-3-7-21(8-4-19)11-13-23-15-29-31(33-23)25-17-28-26(18-27(25)35-29)32-30(36-28)16-24(34-32)14-12-22-9-5-20(2)6-10-22;17-5-7-1-13-15(19-7)9-3-12-10(4-11(9)21-13)16-14(22-12)2-8(6-18)20-16;1-7-2-4-8(5-3-7)6-10-11-9;1-4(2,3)5;1-3-5-4-2;1-2;/h3-18H,1-2H3;1-6H;2-5H,6H2,1H3;1-3H3;3-4H2,1-2H3;1H3;/q;;;-1;;;+1/b13-11+,14-12+;;;;;;/i;;;;;1D;.

What are the key properties of potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde?

potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde has a molecular weight of 1282.79 g/mol, XLogP of 19.17, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde is sourced from PubChem (CID 158605336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).