bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine

C54H38Br2N8Pt2 — CID 59873012

IUPACbis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.C(=C/c1ccncc1)\c1ccncc1.[Pt].[Pt]
InChIInChI=1S/2C21H14BrN3.C12H10N2.2Pt/c2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;/h2*1-14H;1-10H;;/b;;2-1+;;
InChIKeyPQPJNEGXCHTTKH-XODSYJLDSA-N
MW1348.92 g/mol
LogP13.91
Rot. Bonds8

About bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine

bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine (PubChem CID 59873012) has the molecular formula C54H38Br2N8Pt2 and a molecular weight of 1348.92 g/mol. Its IUPAC name is bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine.

Molecular Properties

Compound Namebis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine
PubChem CID59873012
Molecular FormulaC54H38Br2N8Pt2
Molecular Weight1348.92 g/mol
Exact Mass1346.09
IUPAC Namebis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.C(=C/c1ccncc1)\c1ccncc1.[Pt].[Pt]
InChIInChI=1S/2C21H14BrN3.C12H10N2.2Pt/c2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;/h2*1-14H;1-10H;;/b;;2-1+;;
InChIKeyPQPJNEGXCHTTKH-XODSYJLDSA-N
XLogP13.91
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.92
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Gross107 (Sudhakar)
CID 139174614
2,6-Dipyridin-2-ylpyridine;2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine;tetrakis(iridium(3+));4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine;dodecacyanide
CID 157271142
Bis(2-bromo-6-(6-phenyl-2-pyridinyl)pyridine);bis(4-tert-butyl-2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);bis(4-tert-butyl-2-phenyl-6-pyridin-2-ylpyridine);pentakis(carbazol-9-ide);chloronickel;bis(2-(4-methylbenzene-6-id-1-yl)-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine);pentakis(nickel(2+));bis(2-phenyl-6-pyridin-2-ylpyridine)
CID 157319597
benzene;1,3-bis(trifluoromethyl)benzene-2-ide;1,3-dimethylbenzene-2-ide;fluoroplatinum(1+);1H-naphthalen-1-ide;2-(3H-naphthalen-3-id-2-yl)-6-pyridin-2-ylpyridine;tetrakis(2-phenyl-6-pyridin-2-ylpyridine);tetrakis(platinum(2+))
CID 160129141
pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))
CID 53470414
pentakis(iron(2+));pentakis(N-(2-phenylethyl)-1-[5-[2-[6-[5-[2-[6-(2-phenylethyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
CID 53470515
pentakis(iron(2+));pentakis(N-(3-phenylpropyl)-1-[5-[2-[6-[5-[2-[6-(3-phenylpropyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
CID 53470518
pentakis(iron(2+));pentakis(N-(4-phenylbutyl)-1-[5-[2-[6-[5-[2-[6-(4-phenylbutyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
CID 53470519
Co(terpy)2(TCNQ)3(CH3CN)
CID 139047948
Tris(pyridine);5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139050044
Chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)
CID 139051571
bis[4'-(p-tolyl)-2,2':6',2''-terpyridine]iridium(III) tris(hexafluorophosphate) acetonitrile disolvate
CID 139060868

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The IUPAC name of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine (CID 59873012) is bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine.
What is the SMILES notation for bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The canonical SMILES for bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine is Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.C(=C/c1ccncc1)\c1ccncc1.[Pt].[Pt].
What is the InChIKey of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The InChIKey is PQPJNEGXCHTTKH-XODSYJLDSA-N. The full InChI is InChI=1S/2C21H14BrN3.C12H10N2.2Pt/c2*22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;/h2*1-14H;1-10H;;/b;;2-1+;;.
What are the key properties of bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine has a molecular weight of 1348.92 g/mol, XLogP of 13.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine is sourced from PubChem (CID 59873012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).