bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)

C317H262F6N15O6Pt8-3 — CID 161482512

IUPACbis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2cccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-c1c[c-]c(-c2ccccn2)cc1-c1c(C)cccc1C.Cc1cccc(C)c1-c1c[c-]c(-c2ccccn2)cc1-c1c(C)cccc1C.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccccn1.[c-]1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2cccc3ccccc23)c2ccccc12.[c-]1ccccc1-c1ncc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/2C29H19N2.2C27H24N.2C25H16N.7C20H18N.C5H2F6O2.2C5H8O2.8Pt/c2*1-2-10-21(11-3-1)22-17-18-25(26-14-8-9-19-30-26)29(20-22)31-27-15-6-4-12-23(27)24-13-5-7-16-28(24)31;2*1-18-9-7-10-19(2)26(18)23-15-14-22(25-13-5-6-16-28-25)17-24(23)27-20(3)11-8-12-21(27)4;2*1-2-10-19(11-3-1)25-23-15-7-6-14-22(23)24(17-26-25)21-16-8-12-18-9-4-5-13-20(18)21;2*1-14-7-6-8-15(2)20(14)18-11-10-17(13-16(18)3)19-9-4-5-12-21-19;4*1-14-12-15(2)20(16(3)13-14)18-9-5-4-8-17(18)19-10-6-7-11-21-19;1-14-12-15(2)19(16(3)13-14)18-10-7-11-21-20(18)17-8-5-4-6-9-17;6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-4(6)3-5(2)7;;;;;;;;/h2*1-17,19-20H;2*5-13,15-17H,1-4H3;2*1-10,12-17H;2*4-9,11-13H,1-3H3;4*4-7,9-13H,1-3H3;4-8,10-13H,1-3H3;1,12H;2*3,6H,1-2H3;;;;;;;;/q13*-1;;;;;;;5*+2
InChIKeyAUJSCNFBBMRZSW-UHFFFAOYSA-N
MW6052.29 g/mol
LogP82.07
Rot. Bonds33

About bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)

bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) (PubChem CID 161482512) has the molecular formula C317H262F6N15O6Pt8-3 and a molecular weight of 6052.29 g/mol. Its IUPAC name is bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine).

Molecular Properties

Compound Namebis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
PubChem CID161482512
Molecular FormulaC317H262F6N15O6Pt8-3
Molecular Weight6052.29 g/mol
Exact Mass6047.78
IUPAC Namebis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2cccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-c1c[c-]c(-c2ccccn2)cc1-c1c(C)cccc1C.Cc1cccc(C)c1-c1c[c-]c(-c2ccccn2)cc1-c1c(C)cccc1C.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccccn1.[c-]1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2cccc3ccccc23)c2ccccc12.[c-]1ccccc1-c1ncc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/2C29H19N2.2C27H24N.2C25H16N.7C20H18N.C5H2F6O2.2C5H8O2.8Pt/c2*1-2-10-21(11-3-1)22-17-18-25(26-14-8-9-19-30-26)29(20-22)31-27-15-6-4-12-23(27)24-13-5-7-16-28(24)31;2*1-18-9-7-10-19(2)26(18)23-15-14-22(25-13-5-6-16-28-25)17-24(23)27-20(3)11-8-12-21(27)4;2*1-2-10-19(11-3-1)25-23-15-7-6-14-22(23)24(17-26-25)21-16-8-12-18-9-4-5-13-20(18)21;2*1-14-7-6-8-15(2)20(14)18-11-10-17(13-16(18)3)19-9-4-5-12-21-19;4*1-14-12-15(2)20(16(3)13-14)18-9-5-4-8-17(18)19-10-6-7-11-21-19;1-14-12-15(2)19(16(3)13-14)18-10-7-11-21-20(18)17-8-5-4-6-9-17;6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-4(6)3-5(2)7;;;;;;;;/h2*1-17,19-20H;2*5-13,15-17H,1-4H3;2*1-10,12-17H;2*4-9,11-13H,1-3H3;4*4-7,9-13H,1-3H3;4-8,10-13H,1-3H3;1,12H;2*3,6H,1-2H3;;;;;;;;/q13*-1;;;;;;;5*+2
InChIKeyAUJSCNFBBMRZSW-UHFFFAOYSA-N
XLogP82.07
TPSA289.33 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006052.29
LogP ≤ 582.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
The IUPAC name of bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) (CID 161482512) is bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine).
What is the SMILES notation for bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
The canonical SMILES for bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2ccc[c-]c2-c2ccccn2)c(C)c1.Cc1cc(C)c(-c2cccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-c1c[c-]c(-c2ccccn2)cc1-c1c(C)cccc1C.Cc1cccc(C)c1-c1c[c-]c(-c2ccccn2)cc1-c1c(C)cccc1C.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccccn1.[c-]1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2cccc3ccccc23)c2ccccc12.[c-]1ccccc1-c1ncc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
The InChIKey is AUJSCNFBBMRZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H19N2.2C27H24N.2C25H16N.7C20H18N.C5H2F6O2.2C5H8O2.8Pt/c2*1-2-10-21(11-3-1)22-17-18-25(26-14-8-9-19-30-26)29(20-22)31-27-15-6-4-12-23(27)24-13-5-7-16-28(24)31;2*1-18-9-7-10-19(2)26(18)23-15-14-22(25-13-5-6-16-28-25)17-24(23)27-20(3)11-8-12-21(27)4;2*1-2-10-19(11-3-1)25-23-15-7-6-14-22(23)24(17-26-25)21-16-8-12-18-9-4-5-13-20(18)21;2*1-14-7-6-8-15(2)20(14)18-11-10-17(13-16(18)3)19-9-4-5-12-21-19;4*1-14-12-15(2)20(16(3)13-14)18-9-5-4-8-17(18)19-10-6-7-11-21-19;1-14-12-15(2)19(16(3)13-14)18-10-7-11-21-20(18)17-8-5-4-6-9-17;6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-4(6)3-5(2)7;;;;;;;;/h2*1-17,19-20H;2*5-13,15-17H,1-4H3;2*1-10,12-17H;2*4-9,11-13H,1-3H3;4*4-7,9-13H,1-3H3;4-8,10-13H,1-3H3;1,12H;2*3,6H,1-2H3;;;;;;;;/q13*-1;;;;;;;5*+2.
What are the key properties of bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) has a molecular weight of 6052.29 g/mol, XLogP of 82.07, 33 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) is sourced from PubChem (CID 161482512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).