platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane

C54H37N4OPtSi-3 — CID 177105195

About platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane

platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane (PubChem CID 177105195) has the molecular formula C54H37N4OPtSi-3 and a molecular weight of 981.08 g/mol. Its IUPAC name is platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane.

Molecular Properties

• Compound Name: platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane
• PubChem CID: 177105195
• Molecular Formula: C54H37N4OPtSi-3
• Molecular Weight: 981.08 g/mol
• Exact Mass: 980.24
• IUPAC Name: platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C54H37N4OSi.Pt/c1-5-18-40(19-6-1)56-39-57(52-31-16-15-30-51(52)56)41-20-17-21-42(36-41)59-43-32-33-49-48-28-13-14-29-50(48)58(53(49)37-43)54-38-47(34-35-55-54)60(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46;/h1-35,38-39H;/q-3
• InChIKey: JFAOKQXWMZXLRY-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.08
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

The IUPAC name of platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane (CID 177105195) is platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane.

What is the SMILES notation for platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

The canonical SMILES for platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21.

What is the InChIKey of platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

The InChIKey is JFAOKQXWMZXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N4OSi.Pt/c1-5-18-40(19-6-1)56-39-57(52-31-16-15-30-51(52)56)41-20-17-21-42(36-41)59-43-32-33-49-48-28-13-14-29-50(48)58(53(49)37-43)54-38-47(34-35-55-54)60(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46;/h1-35,38-39H;/q-3;.

What are the key properties of platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane?

platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane has a molecular weight of 981.08 g/mol, XLogP of 10.36, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;triphenyl-[2-[2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]silane is sourced from PubChem (CID 177105195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).