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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)

C103H89F7Ir5N8O3Pt-6 — CID 158881458

IUPAC2-(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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
SMILESCC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2]
InChIInChI=1S/C36H44N4.C17H8F2.C12H9FNO.C11H6F2N.2C11H7FN.C5H8O2.5Ir.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;/h17-20H,9-16H2,1-8H3;1-6,9-10H;1,3-7,15H,8H2;1-4,6-7H;2*1-4,6-8H;3,6H,1-2H3;;;;;;/q2*-2;4*-1;;;;;;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;
InChIKeyWAGCJDSETLUWMM-WSZPVVFGSA-N
MW2776.05 g/mol
LogP25.25
Rot. Bonds14

About 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)

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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) (PubChem CID 158881458) has the molecular formula C103H89F7Ir5N8O3Pt-6 and a molecular weight of 2776.05 g/mol. Its IUPAC name is 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+).

Molecular Properties

Compound Name2-(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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
PubChem CID158881458
Molecular FormulaC103H89F7Ir5N8O3Pt-6
Molecular Weight2776.05 g/mol
Exact Mass2778.48
IUPAC Name2-(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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
SMILESCC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2]
InChIInChI=1S/C36H44N4.C17H8F2.C12H9FNO.C11H6F2N.2C11H7FN.C5H8O2.5Ir.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;/h17-20H,9-16H2,1-8H3;1-6,9-10H;1,3-7,15H,8H2;1-4,6-7H;2*1-4,6-8H;3,6H,1-2H3;;;;;;/q2*-2;4*-1;;;;;;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;
InChIKeyWAGCJDSETLUWMM-WSZPVVFGSA-N
XLogP25.25
TPSA163.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002776.05
LogP ≤ 525.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'}

Analyze 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) with MolForge

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Related Compounds

[2-[2-(Hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-[4-methoxy-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;[5-methoxy-2-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]benzene-3-id-1-yl]methanol
CID 157084685
Bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-5-(2,3,4,5,6-pentakis-phenylphenyl)pyridine);4-hydroxypent-3-en-2-one;bis(iridium);1-pyridin-2-ylethenol
CID 157384144
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 158090218
CID 158090218
[2-[2-(Hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tetrakis(4-hydroxypent-3-en-2-one);[2-[4-methoxy-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;[5-methoxy-2-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]benzene-3-id-1-yl]methanol;platinum
CID 158414147
CID 158580250
CID 158580250
benzoic acid;tetrakis(iridium);tris(2-(1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine);pentane-2,4-dione;2-(5-phenyl-1H-naphthalen-1-id-2-yl)-5-(trifluoromethyl)pyridine
CID 158661629
Bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylphenol;tris(2-phenylpyridine);platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 159017779
CID 159169908
CID 159169908
2,4-Ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;hexakis(iridium);platinum
CID 159588704
CID 160000458
CID 160000458
benzoic acid;tetrakis(iridium);bis(4-methyl-2-(1H-naphthalen-1-id-2-yl)-5-(trifluoromethyl)pyridine);pentane-2,4-dione;bis(2-(5-phenyl-1H-naphthalen-1-id-2-yl)-5-(trifluoromethyl)pyridine)
CID 160572325

Frequently Asked Questions

What is the IUPAC name of 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)?
The IUPAC name of 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) (CID 158881458) is 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+).
What is the SMILES notation for 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)?
The canonical SMILES for 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) is CC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.FC1(F)c2ccc[c-]c2-c2[c-]ccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].
What is the InChIKey of 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)?
The InChIKey is WAGCJDSETLUWMM-WSZPVVFGSA-N. The full InChI is InChI=1S/C36H44N4.C17H8F2.C12H9FNO.C11H6F2N.2C11H7FN.C5H8O2.5Ir.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;18-17(19)14-9-2-1-7-12(14)13-8-3-5-11-6-4-10-15(17)16(11)13;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;/h17-20H,9-16H2,1-8H3;1-6,9-10H;1,3-7,15H,8H2;1-4,6-7H;2*1-4,6-8H;3,6H,1-2H3;;;;;;/q2*-2;4*-1;;;;;;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;.
What are the key properties of 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)?
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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) has a molecular weight of 2776.05 g/mol, XLogP of 25.25, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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);[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;4-hydroxypent-3-en-2-one;pentakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) is sourced from PubChem (CID 158881458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).