2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))

C127H93F11N12Pt4S — CID 159291476

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))
SMILESCC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(C(F)(F)c2[c-]cc(F)cc2)n1.CC(C)(c1cccc(Cc2[c-]cc(F)cc2F)n1)c1nc(-c2[c-]cccc2)c2c3c1CCCN3CCC2.Fc1c[c-]c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5[c-]cccc5)c4n3)n2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)cc(C(C)(C)c3cccc(Sc4[c-]cccc4)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C41H25F2N3.C32H29F2N3.C28H22F2N4S.C26H17F5N2.4Pt/c42-30-23-24-34(35(43)27-30)36-20-12-22-38(44-36)41(28-13-4-1-5-14-28,29-15-6-2-7-16-29)39-26-25-33-32-19-10-11-21-37(32)46(40(33)45-39)31-17-8-3-9-18-31;1-32(2,28-14-6-11-24(35-28)19-22-15-16-23(33)20-27(22)34)31-26-13-8-18-37-17-7-12-25(30(26)37)29(36-31)21-9-4-3-5-10-21;1-28(2,23-12-9-13-25(33-23)35-19-10-7-6-8-11-19)24-17-18(34(4)5)16-22(32-24)20-14-15-21(29)27(31-3)26(20)30;1-25(2,22-6-3-5-21(32-22)19-14-13-18(28)15-20(19)29)23-7-4-8-24(33-23)26(30,31)16-9-11-17(27)12-10-16;;;;/h1-17,19-23,25-27H;3-6,9,11,14,16,20H,7-8,12-13,17-19H2,1-2H3;6-10,12-13,15-17H,1-2,4-5H3;3-9,11-13,15H,1-2H3;;;;/q4*-2;4*+2
InChIKeyMZACNIJLLUOJFI-UHFFFAOYSA-N
MW2808.58 g/mol
LogP29.87
Rot. Bonds22

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))

2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)) (PubChem CID 159291476) has the molecular formula C127H93F11N12Pt4S and a molecular weight of 2808.58 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))
PubChem CID159291476
Molecular FormulaC127H93F11N12Pt4S
Molecular Weight2808.58 g/mol
Exact Mass2806.58
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))
SMILESCC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(C(F)(F)c2[c-]cc(F)cc2)n1.CC(C)(c1cccc(Cc2[c-]cc(F)cc2F)n1)c1nc(-c2[c-]cccc2)c2c3c1CCCN3CCC2.Fc1c[c-]c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5[c-]cccc5)c4n3)n2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)cc(C(C)(C)c3cccc(Sc4[c-]cccc4)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C41H25F2N3.C32H29F2N3.C28H22F2N4S.C26H17F5N2.4Pt/c42-30-23-24-34(35(43)27-30)36-20-12-22-38(44-36)41(28-13-4-1-5-14-28,29-15-6-2-7-16-29)39-26-25-33-32-19-10-11-21-37(32)46(40(33)45-39)31-17-8-3-9-18-31;1-32(2,28-14-6-11-24(35-28)19-22-15-16-23(33)20-27(22)34)31-26-13-8-18-37-17-7-12-25(30(26)37)29(36-31)21-9-4-3-5-10-21;1-28(2,23-12-9-13-25(33-23)35-19-10-7-6-8-11-19)24-17-18(34(4)5)16-22(32-24)20-14-15-21(29)27(31-3)26(20)30;1-25(2,22-6-3-5-21(32-22)19-14-13-18(28)15-20(19)29)23-7-4-8-24(33-23)26(30,31)16-9-11-17(27)12-10-16;;;;/h1-17,19-23,25-27H;3-6,9,11,14,16,20H,7-8,12-13,17-19H2,1-2H3;6-10,12-13,15-17H,1-2,4-5H3;3-9,11-13,15H,1-2H3;;;;/q4*-2;4*+2
InChIKeyMZACNIJLLUOJFI-UHFFFAOYSA-N
XLogP29.87
TPSA118.89 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002808.58
LogP ≤ 529.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)) (CID 159291476) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)) is CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(C(F)(F)c2[c-]cc(F)cc2)n1.CC(C)(c1cccc(Cc2[c-]cc(F)cc2F)n1)c1nc(-c2[c-]cccc2)c2c3c1CCCN3CCC2.Fc1c[c-]c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5[c-]cccc5)c4n3)n2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(N(C)C)cc(C(C)(C)c3cccc(Sc4[c-]cccc4)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))?
The InChIKey is MZACNIJLLUOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F2N3.C32H29F2N3.C28H22F2N4S.C26H17F5N2.4Pt/c42-30-23-24-34(35(43)27-30)36-20-12-22-38(44-36)41(28-13-4-1-5-14-28,29-15-6-2-7-16-29)39-26-25-33-32-19-10-11-21-37(32)46(40(33)45-39)31-17-8-3-9-18-31;1-32(2,28-14-6-11-24(35-28)19-22-15-16-23(33)20-27(22)34)31-26-13-8-18-37-17-7-12-25(30(26)37)29(36-31)21-9-4-3-5-10-21;1-28(2,23-12-9-13-25(33-23)35-19-10-7-6-8-11-19)24-17-18(34(4)5)16-22(32-24)20-14-15-21(29)27(31-3)26(20)30;1-25(2,22-6-3-5-21(32-22)19-14-13-18(28)15-20(19)29)23-7-4-8-24(33-23)26(30,31)16-9-11-17(27)12-10-16;;;;/h1-17,19-23,25-27H;3-6,9,11,14,16,20H,7-8,12-13,17-19H2,1-2H3;6-10,12-13,15-17H,1-2,4-5H3;3-9,11-13,15H,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+))?
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)) has a molecular weight of 2808.58 g/mol, XLogP of 29.87, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[difluoro-(4-fluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]pyridine;6-[2-[6-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-pyridinyl]propan-2-yl]-8-phenyl-1,7-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-9-phenylpyrido[2,3-b]indole;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethyl-6-[2-(6-phenylsulfanyl-2-pyridinyl)propan-2-yl]pyridin-4-amine;tetrakis(platinum(2+)) is sourced from PubChem (CID 159291476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).