5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum

C88H79N4OPtSi-3 — CID 177066858

About 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum

5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum (PubChem CID 177066858) has the molecular formula C88H79N4OPtSi-3 and a molecular weight of 1431.79 g/mol. Its IUPAC name is 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 177066858
• Molecular Formula: C88H79N4OPtSi-3
• Molecular Weight: 1431.79 g/mol
• Exact Mass: 1430.57
• IUPAC Name: 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum
• SMILES: CC(C)(C)c1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8ccccc8)cccc7-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)ccc5)ccc4c4c5c(ccc43)-c3ccccc3[Si]5(c3ccccc3)c3ccccc3)cc2C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C88H79N4OSi.Pt/c1-85(2,3)61-44-42-59(43-45-61)74-56-89-81(55-75(74)88(10,11)12)92-78-49-48-72-71-36-22-25-41-80(71)94(67-32-18-14-19-33-67,68-34-20-15-21-35-68)84(72)82(78)73-47-46-66(54-79(73)92)93-65-31-26-30-64(53-65)90-57-91(77-40-24-23-39-76(77)90)83-69(58-28-16-13-17-29-58)37-27-38-70(83)60-50-62(86(4,5)6)52-63(51-60)87(7,8)9;/h13-52,55-57H,1-12H3;/q-3
• InChIKey: TWVLYXKXFZEIFA-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.79
LogP ≤ 5	20.53
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'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum?

The IUPAC name of 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum (CID 177066858) is 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum.

What is the SMILES notation for 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum?

The canonical SMILES for 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum is CC(C)(C)c1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8ccccc8)cccc7-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)ccc5)ccc4c4c5c(ccc43)-c3ccccc3[Si]5(c3ccccc3)c3ccccc3)cc2C(C)(C)C)cc1.[Pt].

What is the InChIKey of 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum?

The InChIKey is TWVLYXKXFZEIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H79N4OSi.Pt/c1-85(2,3)61-44-42-59(43-45-61)74-56-89-81(55-75(74)88(10,11)12)92-78-49-48-72-71-36-22-25-41-80(71)94(67-32-18-14-19-33-67,68-34-20-15-21-35-68)84(72)82(78)73-47-46-66(54-79(73)92)93-65-31-26-30-64(53-65)90-57-91(77-40-24-23-39-76(77)90)83-69(58-28-16-13-17-29-58)37-27-38-70(83)60-50-62(86(4,5)6)52-63(51-60)87(7,8)9;/h13-52,55-57H,1-12H3;/q-3;.

What are the key properties of 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum?

5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum has a molecular weight of 1431.79 g/mol, XLogP of 20.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-3-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-12,12-diphenyl-4H-[1]benzosilolo[3,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 177066858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).