2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline

C105H92F3Ir2N5O4Pt-2 — CID 158540929

IUPAC2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
SMILESC.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2[c-]c(-c3ccccc3O)cc(C(C)(C)C)c2)[c-]c(-c2ccccc2O)c1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2ccc3ccccc3n2)cc1.[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(N(c2ccccc2)c2cc[n+]3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C32H32O2.C24H19N2.C16H9F3N.C15H10N.C12H10N.C5H8O2.CH4.2Ir.Pt/c1-31(2,3)25-17-21(15-23(19-25)27-11-7-9-13-29(27)33)22-16-24(20-26(18-22)32(4,5)6)28-12-8-10-14-30(28)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;17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;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;;;;/h7-14,17-20,33-34H,1-6H3;1-17H,18H2;1-5,7-10H;1-7,9-11H;2-5,7-9H,1H3;3,6H,1-2H3;1H4;;;/q-2;+1;3*-1;;;;;+2
InChIKeyRMAVBGMSYCKXRZ-UHFFFAOYSA-N
MW2124.43 g/mol
LogP26.71
Rot. Bonds10

About 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline

2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline (PubChem CID 158540929) has the molecular formula C105H92F3Ir2N5O4Pt-2 and a molecular weight of 2124.43 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
PubChem CID158540929
Molecular FormulaC105H92F3Ir2N5O4Pt-2
Molecular Weight2124.43 g/mol
Exact Mass2124.60
IUPAC Name2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
SMILESC.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2[c-]c(-c3ccccc3O)cc(C(C)(C)C)c2)[c-]c(-c2ccccc2O)c1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2ccc3ccccc3n2)cc1.[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(N(c2ccccc2)c2cc[n+]3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C32H32O2.C24H19N2.C16H9F3N.C15H10N.C12H10N.C5H8O2.CH4.2Ir.Pt/c1-31(2,3)25-17-21(15-23(19-25)27-11-7-9-13-29(27)33)22-16-24(20-26(18-22)32(4,5)6)28-12-8-10-14-30(28)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;17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;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;;;;/h7-14,17-20,33-34H,1-6H3;1-17H,18H2;1-5,7-10H;1-7,9-11H;2-5,7-9H,1H3;3,6H,1-2H3;1H4;;;/q-2;+1;3*-1;;;;;+2
InChIKeyRMAVBGMSYCKXRZ-UHFFFAOYSA-N
XLogP26.71
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002124.43
LogP ≤ 526.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline with MolForge

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Related Compounds

CID 157216134
CID 157216134
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;dysprosium;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(3H-naphthalen-3-id-2-yl)isoquinoline;1,10-phenanthroline;1-phenylisoquinoline;3-phenylisoquinoline;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 157243831
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);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157253808
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;bis(2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline);heptakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);3-ethyl-4-hydroxypent-3-en-2-one;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);2-phenylpyridine
CID 157287608
CID 157342959
CID 157342959
CID 157347418
CID 157347418
2-Acetyl-3-hydroxycyclohex-2-en-1-one;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;2-(4-fluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;6-phenylphenanthridine;2-phenyl-3-phenylquinoxaline;platinum
CID 157373570
CID 157434396
CID 157434396
CID 157446114
CID 157446114
2,4-Ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);4-hydroxypent-3-en-2-one;tetrakis(iridium);platinum
CID 157450375
CID 157490248
CID 157490248
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;iridium;iridium(3+);1-methyl-4-phenylbenzene-5-ide;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157533924

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
The IUPAC name of 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline (CID 158540929) is 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
The canonical SMILES for 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline is C.CC(=O)C=C(C)O.CC(C)(C)c1cc(-c2[c-]c(-c3ccccc3O)cc(C(C)(C)C)c2)[c-]c(-c2ccccc2O)c1.Cc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2ccc3ccccc3n2)cc1.[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(N(c2ccccc2)c2cc[n+]3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
The InChIKey is RMAVBGMSYCKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O2.C24H19N2.C16H9F3N.C15H10N.C12H10N.C5H8O2.CH4.2Ir.Pt/c1-31(2,3)25-17-21(15-23(19-25)27-11-7-9-13-29(27)33)22-16-24(20-26(18-22)32(4,5)6)28-12-8-10-14-30(28)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;17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;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;;;;/h7-14,17-20,33-34H,1-6H3;1-17H,18H2;1-5,7-10H;1-7,9-11H;2-5,7-9H,1H3;3,6H,1-2H3;1H4;;;/q-2;+1;3*-1;;;;;+2.
What are the key properties of 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline?
2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline has a molecular weight of 2124.43 g/mol, XLogP of 26.71, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-[3-tert-butyl-5-(2-hydroxyphenyl)benzene-6-id-1-yl]benzene-6-id-1-yl]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;1-phenylisoquinoline;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline is sourced from PubChem (CID 158540929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).