bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))

C135H96N13O2Pt5S3- — CID 157472457

IUPACbis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))
SMILESCCCCCCc1ccc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc1.O=C(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2ccccn2)ccc1.Oc1ccsc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1-c1ccccc1.[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-c2nccs2)ccc1)c1ccccc1
InChIInChI=1S/C34H23N3.C34H31N3.C24H15N3S2.C23H14N2O.C20H13N2OS.5Pt/c1-2-12-26(13-3-1)31-18-4-5-21-34(31)37(29-16-10-14-27(24-29)32-19-6-8-22-35-32)30-17-11-15-28(25-30)33-20-7-9-23-36-33;1-2-3-4-5-12-27-19-21-30(22-20-27)37(31-15-10-13-28(25-31)33-17-6-8-23-35-33)32-16-11-14-29(26-32)34-18-7-9-24-36-34;1-2-8-20(9-3-1)27(21-10-4-6-18(16-21)23-25-12-14-28-23)22-11-5-7-19(17-22)24-26-13-15-29-24;26-23(19-9-5-7-17(15-19)21-11-1-3-13-24-21)20-10-6-8-18(16-20)22-12-2-4-14-25-22;23-19-12-13-24-20(19)18-11-5-10-17(22-18)16-9-4-8-15(21-16)14-6-2-1-3-7-14;;;;;/h1-23H;6-11,13-24H,2-5,12H2,1H3;1-15H;1-14H;1-6,8-13,23H;;;;;/q4*-2;-1;;4*+2
InChIKeyAEGSLYIEZAKEGZ-UHFFFAOYSA-N
MW3003.93 g/mol
LogP34.23
Rot. Bonds28

About bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))

bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)) (PubChem CID 157472457) has the molecular formula C135H96N13O2Pt5S3- and a molecular weight of 3003.93 g/mol. Its IUPAC name is bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)).

Molecular Properties

Compound Namebis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))
PubChem CID157472457
Molecular FormulaC135H96N13O2Pt5S3-
Molecular Weight3003.93 g/mol
Exact Mass3001.52
IUPAC Namebis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))
SMILESCCCCCCc1ccc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc1.O=C(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2ccccn2)ccc1.Oc1ccsc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1-c1ccccc1.[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-c2nccs2)ccc1)c1ccccc1
InChIInChI=1S/C34H23N3.C34H31N3.C24H15N3S2.C23H14N2O.C20H13N2OS.5Pt/c1-2-12-26(13-3-1)31-18-4-5-21-34(31)37(29-16-10-14-27(24-29)32-19-6-8-22-35-32)30-17-11-15-28(25-30)33-20-7-9-23-36-33;1-2-3-4-5-12-27-19-21-30(22-20-27)37(31-15-10-13-28(25-31)33-17-6-8-23-35-33)32-16-11-14-29(26-32)34-18-7-9-24-36-34;1-2-8-20(9-3-1)27(21-10-4-6-18(16-21)23-25-12-14-28-23)22-11-5-7-19(17-22)24-26-13-15-29-24;26-23(19-9-5-7-17(15-19)21-11-1-3-13-24-21)20-10-6-8-18(16-20)22-12-2-4-14-25-22;23-19-12-13-24-20(19)18-11-5-10-17(22-18)16-9-4-8-15(21-16)14-6-2-1-3-7-14;;;;;/h1-23H;6-11,13-24H,2-5,12H2,1H3;1-15H;1-14H;1-6,8-13,23H;;;;;/q4*-2;-1;;4*+2
InChIKeyAEGSLYIEZAKEGZ-UHFFFAOYSA-N
XLogP34.23
TPSA175.92 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003003.93
LogP ≤ 534.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))?
The IUPAC name of bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)) (CID 157472457) is bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)).
What is the SMILES notation for bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))?
The canonical SMILES for bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)) is CCCCCCc1ccc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc1.O=C(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2ccccn2)ccc1.Oc1ccsc1-c1cccc(-c2cccc(-c3[c-]cccc3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1-c1ccccc1.[c-]1c(-c2nccs2)cccc1N(c1[c-]c(-c2nccs2)ccc1)c1ccccc1.
What is the InChIKey of bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))?
The InChIKey is AEGSLYIEZAKEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3.C34H31N3.C24H15N3S2.C23H14N2O.C20H13N2OS.5Pt/c1-2-12-26(13-3-1)31-18-4-5-21-34(31)37(29-16-10-14-27(24-29)32-19-6-8-22-35-32)30-17-11-15-28(25-30)33-20-7-9-23-36-33;1-2-3-4-5-12-27-19-21-30(22-20-27)37(31-15-10-13-28(25-31)33-17-6-8-23-35-33)32-16-11-14-29(26-32)34-18-7-9-24-36-34;1-2-8-20(9-3-1)27(21-10-4-6-18(16-21)23-25-12-14-28-23)22-11-5-7-19(17-22)24-26-13-15-29-24;26-23(19-9-5-7-17(15-19)21-11-1-3-13-24-21)20-10-6-8-18(16-20)22-12-2-4-14-25-22;23-19-12-13-24-20(19)18-11-5-10-17(22-18)16-9-4-8-15(21-16)14-6-2-1-3-7-14;;;;;/h1-23H;6-11,13-24H,2-5,12H2,1H3;1-15H;1-14H;1-6,8-13,23H;;;;;/q4*-2;-1;;4*+2.
What are the key properties of bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+))?
bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)) has a molecular weight of 3003.93 g/mol, XLogP of 34.23, 28 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-pyridin-2-ylbenzene-2-id-1-yl)methanone;N-(4-hexylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]thiophen-3-ol;N-phenyl-3-(1,3-thiazol-2-yl)-N-[3-(1,3-thiazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;platinum;tetrakis(platinum(2+)) is sourced from PubChem (CID 157472457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).