1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide

C120H92N8Pt4-12 — CID 161079805

IUPAC1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide
SMILESCC(C)c1c[c-]c(-c2[c-]cccc2)cc1.Cc1ccc(-c2cc(-c3[c-]ccc(-c4ccccc4)c3)ncn2)cc1.Cc1ccc(-c2cc(-c3[c-]cccc3)ncn2)cc1.Cc1ccc(-c2cc[c-]c(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2[c-]cc(C([2H])([2H])[2H])cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccncn1.[c-]1ccccc1-c1ccncn1
InChIInChI=1S/C23H17N2.C19H14.C17H13N2.C15H14.C14H12.C12H8.2C10H7N2.4Pt/c1-17-10-12-19(13-11-17)22-15-23(25-16-24-22)21-9-5-8-20(14-21)18-6-3-2-4-7-18;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;1-13-7-9-15(10-8-13)17-11-16(18-12-19-17)14-5-3-2-4-6-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-4-9(5-3-1)10-6-7-11-8-12-10;;;;/h2-8,10-16H,1H3;2-6,9-14H,1H3;2-5,7-12H,1H3;3-6,8-10,12H,1-2H3;3-7,9H,1-2H3;1-7,9H;2*1-4,6-8H;;;;/q-1;-2;-1;3*-2;2*-1;;;;/i;;;;1D3,2D3;;;;;;;
InChIKeyNITOTFGPPRXKAB-YXRYBNCWSA-N
MW2432.46 g/mol
LogP28.91
Rot. Bonds15

About 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide

1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide (PubChem CID 161079805) has the molecular formula C120H92N8Pt4-12 and a molecular weight of 2432.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide
PubChem CID161079805
Molecular FormulaC120H92N8Pt4-12
Molecular Weight2432.46 g/mol
Exact Mass2430.65
IUPAC Name1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide
SMILESCC(C)c1c[c-]c(-c2[c-]cccc2)cc1.Cc1ccc(-c2cc(-c3[c-]ccc(-c4ccccc4)c3)ncn2)cc1.Cc1ccc(-c2cc(-c3[c-]cccc3)ncn2)cc1.Cc1ccc(-c2cc[c-]c(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2[c-]cc(C([2H])([2H])[2H])cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccncn1.[c-]1ccccc1-c1ccncn1
InChIInChI=1S/C23H17N2.C19H14.C17H13N2.C15H14.C14H12.C12H8.2C10H7N2.4Pt/c1-17-10-12-19(13-11-17)22-15-23(25-16-24-22)21-9-5-8-20(14-21)18-6-3-2-4-7-18;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;1-13-7-9-15(10-8-13)17-11-16(18-12-19-17)14-5-3-2-4-6-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-4-9(5-3-1)10-6-7-11-8-12-10;;;;/h2-8,10-16H,1H3;2-6,9-14H,1H3;2-5,7-12H,1H3;3-6,8-10,12H,1-2H3;3-7,9H,1-2H3;1-7,9H;2*1-4,6-8H;;;;/q-1;-2;-1;3*-2;2*-1;;;;/i;;;;1D3,2D3;;;;;;;
InChIKeyNITOTFGPPRXKAB-YXRYBNCWSA-N
XLogP28.91
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002432.46
LogP ≤ 528.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide with MolForge

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Related Compounds

iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 164791666
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096
4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 162098213
1-(1-deuterio-1-phenylethyl)-3-phenylbenzene-4-ide;iridium(3+);2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 162710622
iridium;7-phenyl-2-phenyl-[1]benzothiolo[2,3-d][1,3]thiazole;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 164756834
bis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;bis(4-(2-methylpropyl)-2-phenylpyridine)
CID 158115566
iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane
CID 162709150
iridium;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)-[1,3]oxazolo[5,4-d][1,3]oxazole
CID 169044016
tetrakis(iridium);tetrakis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[2-(3-phenylbenzene-6-id-1-yl)-4-pyridinyl]germane;trimethyl-[2-(4-phenylbenzene-6-id-1-yl)-4-pyridinyl]germane;trimethyl-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-(2-phenyl-4-pyridinyl)germane
CID 161340323
tris(iridium);bis(2-(3-methylbenzene-6-id-1-yl)-5-phenylpyridine);bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
CID 158490047
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide?
The IUPAC name of 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide (CID 161079805) is 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide?
The canonical SMILES for 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide is CC(C)c1c[c-]c(-c2[c-]cccc2)cc1.Cc1ccc(-c2cc(-c3[c-]ccc(-c4ccccc4)c3)ncn2)cc1.Cc1ccc(-c2cc(-c3[c-]cccc3)ncn2)cc1.Cc1ccc(-c2cc[c-]c(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2[c-]cc(C([2H])([2H])[2H])cc2)cc1.[Pt].[Pt].[Pt].[Pt].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccncn1.[c-]1ccccc1-c1ccncn1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide?
The InChIKey is NITOTFGPPRXKAB-YXRYBNCWSA-N. The full InChI is InChI=1S/C23H17N2.C19H14.C17H13N2.C15H14.C14H12.C12H8.2C10H7N2.4Pt/c1-17-10-12-19(13-11-17)22-15-23(25-16-24-22)21-9-5-8-20(14-21)18-6-3-2-4-7-18;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;1-13-7-9-15(10-8-13)17-11-16(18-12-19-17)14-5-3-2-4-6-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-4-9(5-3-1)10-6-7-11-8-12-10;;;;/h2-8,10-16H,1H3;2-6,9-14H,1H3;2-5,7-12H,1H3;3-6,8-10,12H,1-2H3;3-7,9H,1-2H3;1-7,9H;2*1-4,6-8H;;;;/q-1;-2;-1;3*-2;2*-1;;;;/i;;;;1D3,2D3;;;;;;;.
What are the key properties of 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide?
1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide has a molecular weight of 2432.46 g/mol, XLogP of 28.91, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenylbenzene-4-ide;4-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-(4-methylphenyl)-6-phenylpyrimidine;phenylbenzene;1-phenyl-4-propan-2-ylbenzene-6-ide;bis(4-phenylpyrimidine);platinum;1-(trideuteriomethyl)-4-[4-(trideuteriomethyl)benzene-6-id-1-yl]benzene-5-ide is sourced from PubChem (CID 161079805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).