[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C58H56N4OPt — CID 169030582

About [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169030582) has the molecular formula C58H56N4OPt and a molecular weight of 1020.19 g/mol. Its IUPAC name is [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 169030582
• Molecular Formula: C58H56N4OPt
• Molecular Weight: 1020.19 g/mol
• Exact Mass: 1019.41
• IUPAC Name: [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(N2c3cc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)ccc3C3CCCCC3C23CCCCC3)c1
• InChI: InChI=1S/C58H56N4O.Pt/c1-57(2,3)43-33-36-59-55(37-43)62-54-39-46(31-32-50(54)49-25-11-12-28-51(49)58(62)34-15-6-16-35-58)63-45-24-17-23-44(38-45)60-40-61(53-30-14-13-29-52(53)60)56-47(41-19-7-4-8-20-41)26-18-27-48(56)42-21-9-5-10-22-42;/h4-5,7-10,13-14,17-24,26-27,29-33,36-39,49,51H,6,11-12,15-16,25,28,34-35H2,1-3H3
• InChIKey: FBWUJPNTCUNHTM-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.19
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169030582) is [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2c3cc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)ccc3C3CCCCC3C23CCCCC3)c1.

What is the InChIKey of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is FBWUJPNTCUNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H56N4O.Pt/c1-57(2,3)43-33-36-59-55(37-43)62-54-39-46(31-32-50(54)49-25-11-12-28-51(49)58(62)34-15-6-16-35-58)63-45-24-17-23-44(38-45)60-40-61(53-30-14-13-29-52(53)60)56-47(41-19-7-4-8-20-41)26-18-27-48(56)42-21-9-5-10-22-42;/h4-5,7-10,13-14,17-24,26-27,29-33,36-39,49,51H,6,11-12,15-16,25,28,34-35H2,1-3H3;.

What are the key properties of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1020.19 g/mol, XLogP of 15.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).