phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)

C86H72N8Pt4S4Si2 — CID 161121775

IUPACphenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)
SMILESC[Si](C)(C)c1c[c-]c(-c2ccccn2)s1.C[Si](C)(C)c1c[c-]c(-c2ccccn2)s1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C12H14NSSi.C12H8.2C11H8N.C10H8N2.2C9H6NS.4Pt/c2*1-15(2,3)12-8-7-11(14-12)10-6-4-5-9-13-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;;;/h2*4-6,8-9H,1-3H3;1-7,9H;2*1-6,8-9H;1-8H;2*1-4,6-7H;;;;/q2*-1;-2;2*-1;;2*-1;4*+2
InChIKeyVAQAQCDOKFNUCG-UHFFFAOYSA-N
MW2182.33 g/mol
LogP21.72
Rot. Bonds10

About phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)

phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane) (PubChem CID 161121775) has the molecular formula C86H72N8Pt4S4Si2 and a molecular weight of 2182.33 g/mol. Its IUPAC name is phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane).

Molecular Properties

Compound Namephenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)
PubChem CID161121775
Molecular FormulaC86H72N8Pt4S4Si2
Molecular Weight2182.33 g/mol
Exact Mass2180.29
IUPAC Namephenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)
SMILESC[Si](C)(C)c1c[c-]c(-c2ccccn2)s1.C[Si](C)(C)c1c[c-]c(-c2ccccn2)s1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C12H14NSSi.C12H8.2C11H8N.C10H8N2.2C9H6NS.4Pt/c2*1-15(2,3)12-8-7-11(14-12)10-6-4-5-9-13-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;;;/h2*4-6,8-9H,1-3H3;1-7,9H;2*1-6,8-9H;1-8H;2*1-4,6-7H;;;;/q2*-1;-2;2*-1;;2*-1;4*+2
InChIKeyVAQAQCDOKFNUCG-UHFFFAOYSA-N
XLogP21.72
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms104
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.33
LogP ≤ 521.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)?
The IUPAC name of phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane) (CID 161121775) is phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane).
What is the SMILES notation for phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)?
The canonical SMILES for phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane) is C[Si](C)(C)c1c[c-]c(-c2ccccn2)s1.C[Si](C)(C)c1c[c-]c(-c2ccccn2)s1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)?
The InChIKey is VAQAQCDOKFNUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14NSSi.C12H8.2C11H8N.C10H8N2.2C9H6NS.4Pt/c2*1-15(2,3)12-8-7-11(14-12)10-6-4-5-9-13-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;;;/h2*4-6,8-9H,1-3H3;1-7,9H;2*1-6,8-9H;1-8H;2*1-4,6-7H;;;;/q2*-1;-2;2*-1;;2*-1;4*+2.
What are the key properties of phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)?
phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane) has a molecular weight of 2182.33 g/mol, XLogP of 21.72, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane) is sourced from PubChem (CID 161121775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).