2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum

C104H94F3Ir2N7O4Pt-2 — CID 162134792

IUPAC2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum
SMILESC.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)nc(-c2ccccc2O)c1.Cc1[c-]c(-c2ccc3ccccc3n2)ccc1C(F)(F)F.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(N(c2ccccc2)c2cc[n+]3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C30H32N2O2.C24H19N2.C17H11F3N.C15H10N.C12H10N.C5H8O2.CH4.2Ir.Pt/c1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;1-3-10-20(11-4-1)26(21-12-5-2-6-13-21)22-15-16-25-18-19-9-7-8-14-23(19)24(25)17-22;1-11-10-13(6-8-14(11)17(18,19)20)16-9-7-12-4-2-3-5-15(12)21-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-4(6)3-5(2)7;;;;/h7-18,33-34H,1-6H3;1-17H,18H2;2-9H,1H3;1-7,9-11H;2-5,7-9H,1H3;3,6H,1-2H3;1H4;;;/q;+1;3*-1;;;;;
InChIKeyXBPYXEUTAAYFLV-UHFFFAOYSA-N
MW2142.45 g/mol
LogP26.21
Rot. Bonds10

About 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum

2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum (PubChem CID 162134792) has the molecular formula C104H94F3Ir2N7O4Pt-2 and a molecular weight of 2142.45 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum.

Molecular Properties

Compound Name2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum
PubChem CID162134792
Molecular FormulaC104H94F3Ir2N7O4Pt-2
Molecular Weight2142.45 g/mol
Exact Mass2142.62
IUPAC Name2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum
SMILESC.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)nc(-c2ccccc2O)c1.Cc1[c-]c(-c2ccc3ccccc3n2)ccc1C(F)(F)F.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(N(c2ccccc2)c2cc[n+]3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C30H32N2O2.C24H19N2.C17H11F3N.C15H10N.C12H10N.C5H8O2.CH4.2Ir.Pt/c1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;1-3-10-20(11-4-1)26(21-12-5-2-6-13-21)22-15-16-25-18-19-9-7-8-14-23(19)24(25)17-22;1-11-10-13(6-8-14(11)17(18,19)20)16-9-7-12-4-2-3-5-15(12)21-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-4(6)3-5(2)7;;;;/h7-18,33-34H,1-6H3;1-17H,18H2;2-9H,1H3;1-7,9-11H;2-5,7-9H,1H3;3,6H,1-2H3;1H4;;;/q;+1;3*-1;;;;;
InChIKeyXBPYXEUTAAYFLV-UHFFFAOYSA-N
XLogP26.21
TPSA149.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002142.45
LogP ≤ 526.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum?
The IUPAC name of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum (CID 162134792) is 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum.
What is the SMILES notation for 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum?
The canonical SMILES for 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum is C.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)nc(-c2ccccc2O)c1.Cc1[c-]c(-c2ccc3ccccc3n2)ccc1C(F)(F)F.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Pt].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(N(c2ccccc2)c2cc[n+]3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum?
The InChIKey is XBPYXEUTAAYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2.C24H19N2.C17H11F3N.C15H10N.C12H10N.C5H8O2.CH4.2Ir.Pt/c1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;1-3-10-20(11-4-1)26(21-12-5-2-6-13-21)22-15-16-25-18-19-9-7-8-14-23(19)24(25)17-22;1-11-10-13(6-8-14(11)17(18,19)20)16-9-7-12-4-2-3-5-15(12)21-16;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-4(6)3-5(2)7;;;;/h7-18,33-34H,1-6H3;1-17H,18H2;2-9H,1H3;1-7,9-11H;2-5,7-9H,1H3;3,6H,1-2H3;1H4;;;/q;+1;3*-1;;;;;.
What are the key properties of 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum?
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum has a molecular weight of 2142.45 g/mol, XLogP of 26.21, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;2-[3-methyl-4-(trifluoromethyl)benzene-2-id-1-yl]quinoline;1-phenylisoquinoline;platinum is sourced from PubChem (CID 162134792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).