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

C42H48N4OPt — CID 169030590

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

[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 169030590) has the molecular formula C42H48N4OPt and a molecular weight of 819.95 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum
• PubChem CID: 169030590
• Molecular Formula: C42H48N4OPt
• Molecular Weight: 819.95 g/mol
• Exact Mass: 819.35
• IUPAC Name: [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum
• SMILES: Cc1ccnc(N2c3cc(Oc4cc(-n5c(=[Pt])n(C)c6ccccc65)cc(C(C)(C)C)c4)ccc3C3CCCCC3C23CCCCC3)c1
• InChI: InChI=1S/C42H48N4O.Pt/c1-29-19-22-43-40(23-29)46-39-27-32(17-18-35(39)34-13-7-8-14-36(34)42(46)20-11-6-12-21-42)47-33-25-30(41(2,3)4)24-31(26-33)45-28-44(5)37-15-9-10-16-38(37)45;/h9-10,15-19,22-27,34,36H,6-8,11-14,20-21H2,1-5H3
• InChIKey: VWRHOGOADZYNIV-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.95
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 169030590) is [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum.

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

The canonical SMILES for [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cc1ccnc(N2c3cc(Oc4cc(-n5c(=[Pt])n(C)c6ccccc65)cc(C(C)(C)C)c4)ccc3C3CCCCC3C23CCCCC3)c1.

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

The InChIKey is VWRHOGOADZYNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N4O.Pt/c1-29-19-22-43-40(23-29)46-39-27-32(17-18-35(39)34-13-7-8-14-36(34)42(46)20-11-6-12-21-42)47-33-25-30(41(2,3)4)24-31(26-33)45-28-44(5)37-15-9-10-16-38(37)45;/h9-10,15-19,22-27,34,36H,6-8,11-14,20-21H2,1-5H3;.

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

[1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 819.95 g/mol, XLogP of 10.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-tert-butyl-5-[5-(4-methyl-2-pyridinyl)spiro[6a,7,8,9,10,10a-hexahydrophenanthridine-6,1'-cyclohexane]-3-yl]oxyphenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).