10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)

C40H32N3PtSi+ — CID 171732700

IUPAC10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)
SMILESC[Si]1(C)c2ccc[c-]c2N(c2[c-]cccc2)c2ccccc21.Cc1ccc(-[n+]2[c-]n(-c3[c-]cccc3)c3ccccc32)cc1.[Pt+4]
InChIInChI=1S/C20H15N2.C20H17NSi.Pt/c1-16-11-13-18(14-12-16)22-15-21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)22;1-22(2)19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)22;/h2-7,9-14H,1H3;3-10,12,14-15H,1-2H3;/q-1;-2;+4
InChIKeyCPNLXMMEYKZFCQ-UHFFFAOYSA-N
MW777.88 g/mol
LogP7.71
Rot. Bonds3

About 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)

10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+) (PubChem CID 171732700) has the molecular formula C40H32N3PtSi+ and a molecular weight of 777.88 g/mol. Its IUPAC name is 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+).

Molecular Properties

Compound Name10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)
PubChem CID171732700
Molecular FormulaC40H32N3PtSi+
Molecular Weight777.88 g/mol
Exact Mass777.20
IUPAC Name10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)
SMILESC[Si]1(C)c2ccc[c-]c2N(c2[c-]cccc2)c2ccccc21.Cc1ccc(-[n+]2[c-]n(-c3[c-]cccc3)c3ccccc32)cc1.[Pt+4]
InChIInChI=1S/C20H15N2.C20H17NSi.Pt/c1-16-11-13-18(14-12-16)22-15-21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)22;1-22(2)19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)22;/h2-7,9-14H,1H3;3-10,12,14-15H,1-2H3;/q-1;-2;+4
InChIKeyCPNLXMMEYKZFCQ-UHFFFAOYSA-N
XLogP7.71
TPSA12.05 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.88
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+) with MolForge

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Related Compounds

CID 171732575
CID 171732575
CID 171732590
CID 171732590
CID 171732656
CID 171732656
CID 171732605
CID 171732605
CID 171732630
CID 171732630
1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)
CID 171732606
10-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum
CID 165164157
CID 164796295
CID 164796295
CID 170930505
CID 170930505
2-[3,4-diphenyl-9-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]imidazo[4,5-b][1,4]benzazaborinin-2-yl]phenol;platinum(2+)
CID 164729115
5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 14494633
9-[3-carbazol-9-yl-2-[3-[3-[3-[6-methyl-5-(4-phenylphenyl)pyridazin-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]phenyl]carbazole;methane;platinum
CID 160755738

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)?
The IUPAC name of 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+) (CID 171732700) is 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+).
What is the SMILES notation for 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)?
The canonical SMILES for 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+) is C[Si]1(C)c2ccc[c-]c2N(c2[c-]cccc2)c2ccccc21.Cc1ccc(-[n+]2[c-]n(-c3[c-]cccc3)c3ccccc32)cc1.[Pt+4].
What is the InChIKey of 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)?
The InChIKey is CPNLXMMEYKZFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2.C20H17NSi.Pt/c1-16-11-13-18(14-12-16)22-15-21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)22;1-22(2)19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)22;/h2-7,9-14H,1H3;3-10,12,14-15H,1-2H3;/q-1;-2;+4.
What are the key properties of 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+)?
10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+) has a molecular weight of 777.88 g/mol, XLogP of 7.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5-phenyl-4H-benzo[b][1,4]benzazasilin-4-ide;1-(4-methylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;platinum(4+) is sourced from PubChem (CID 171732700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).