[1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C50H40N4OPt-2 — CID 169030709

About [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169030709) has the molecular formula C50H40N4OPt-2 and a molecular weight of 907.98 g/mol. Its IUPAC name is [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 169030709
• Molecular Formula: C50H40N4OPt-2
• Molecular Weight: 907.98 g/mol
• Exact Mass: 907.29
• IUPAC Name: [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(N2CC3CC3c3ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)[c-]c32)c1
• InChI: InChI=1S/C50H40N4O.Pt/c1-50(2,3)37-26-27-51-48(29-37)52-32-36-28-44(36)43-25-24-40(31-47(43)52)55-39-19-12-18-38(30-39)53-33-54(46-23-11-10-22-45(46)53)49-41(34-14-6-4-7-15-34)20-13-21-42(49)35-16-8-5-9-17-35;/h4-27,29,36,44H,28,32H2,1-3H3;/q-2
• InChIKey: MRUADFHEINXFIZ-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.98
LogP ≤ 5	12.17
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-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169030709) is [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2CC3CC3c3ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)[c-]c32)c1.

What is the InChIKey of [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is MRUADFHEINXFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4O.Pt/c1-50(2,3)37-26-27-51-48(29-37)52-32-36-28-44(36)43-25-24-40(31-47(43)52)55-39-19-12-18-38(30-39)53-33-54(46-23-11-10-22-45(46)53)49-41(34-14-6-4-7-15-34)20-13-21-42(49)35-16-8-5-9-17-35;/h4-27,29,36,44H,28,32H2,1-3H3;/q-2;.

What are the key properties of [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 907.98 g/mol, XLogP of 12.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[3-(4-tert-butyl-2-pyridinyl)-1a,2,4,7b-tetrahydro-1H-cyclopropa[c]quinolin-4-id-5-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).