[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

C60H58N4OPt-2 — CID 169030734

About [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 169030734) has the molecular formula C60H58N4OPt-2 and a molecular weight of 1046.23 g/mol. Its IUPAC name is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• PubChem CID: 169030734
• Molecular Formula: C60H58N4OPt-2
• Molecular Weight: 1046.23 g/mol
• Exact Mass: 1045.43
• IUPAC Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3CCCC3C23CCCC3)c1
• InChI: InChI=1S/C60H58N4O.Pt/c1-58(2,3)43-31-34-61-56(37-43)64-55-39-47(29-30-49(55)48-25-18-26-52(48)60(64)32-15-16-33-60)65-46-24-17-23-45(38-46)62-40-63(54-28-14-13-27-53(54)62)57-50(41-19-9-7-10-20-41)35-44(59(4,5)6)36-51(57)42-21-11-8-12-22-42;/h7-14,17,19-24,27-31,34-37,48,52H,15-16,18,25-26,32-33H2,1-6H3;/q-2
• InChIKey: IGUFABKNVAWIPJ-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.23
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 169030734) is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3CCCC3C23CCCC3)c1.

What is the InChIKey of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The InChIKey is IGUFABKNVAWIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N4O.Pt/c1-58(2,3)43-31-34-61-56(37-43)64-55-39-47(29-30-49(55)48-25-18-26-52(48)60(64)32-15-16-33-60)65-46-24-17-23-45(38-46)62-40-63(54-28-14-13-27-53(54)62)57-50(41-19-9-7-10-20-41)35-44(59(4,5)6)36-51(57)42-21-11-8-12-22-42;/h7-14,17,19-24,27-31,34-37,48,52H,15-16,18,25-26,32-33H2,1-6H3;/q-2;.

What are the key properties of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 1046.23 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[1,2,3,3a,6,9b-hexahydrocyclopenta[c]quinolin-6-ide-4,1'-cyclopentane]-7-yl]oxybenzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).