CID 171047575

C86H74N4OPtSi-2 — CID 171047575

About CID 171047575

CID 171047575 (PubChem CID 171047575) has the molecular formula C86H74N4OPtSi-2 and a molecular weight of 1425.87 g/mol.

Molecular Properties

• Compound Name: CID 171047575
• PubChem CID: 171047575
• Molecular Formula: C86H74N4OPtSi-2
• Molecular Weight: 1425.87 g/mol
• Exact Mass: 1424.67
• IUPAC Name: —
• SMILES: [2H]c1c([2H])c([2H])c([Si](CCc2cc3c4c(c2)n(-c2[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc2)[c-][n+]4-c2c(-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)cc2-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-3)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C86H74N4OSi.Pt/c1-84(2,3)60-42-40-59(41-43-60)75-52-62(86(7,8)9)53-77-72-37-22-20-35-70(72)69-34-19-21-36-71(69)76-50-58(47-49-92(66-28-13-10-14-29-66,67-30-15-11-16-31-67)68-32-17-12-18-33-68)51-80-83(76)89(82(75)77)57-88(80)63-26-25-27-64(55-63)91-65-44-45-74-73-38-23-24-39-78(73)90(79(74)56-65)81-54-61(46-48-87-81)85(4,5)6;/h10-46,48,50-54H,47,49H2,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D
• InChIKey: OQAYCYFLQFHGEJ-VFNIYALFSA-N
• XLogP: 19.18
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.87
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 171047575?

The IUPAC name of CID 171047575 (CID 171047575) is not available.

What is the SMILES notation for CID 171047575?

The canonical SMILES for CID 171047575 is [2H]c1c([2H])c([2H])c([Si](CCc2cc3c4c(c2)n(-c2[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc2)[c-][n+]4-c2c(-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)cc2-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-3)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of CID 171047575?

The InChIKey is OQAYCYFLQFHGEJ-VFNIYALFSA-N. The full InChI is InChI=1S/C86H74N4OSi.Pt/c1-84(2,3)60-42-40-59(41-43-60)75-52-62(86(7,8)9)53-77-72-37-22-20-35-70(72)69-34-19-21-36-71(69)76-50-58(47-49-92(66-28-13-10-14-29-66,67-30-15-11-16-31-67)68-32-17-12-18-33-68)51-80-83(76)89(82(75)77)57-88(80)63-26-25-27-64(55-63)91-65-44-45-74-73-38-23-24-39-78(73)90(79(74)56-65)81-54-61(46-48-87-81)85(4,5)6;/h10-46,48,50-54H,47,49H2,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D;.

What are the key properties of CID 171047575?

CID 171047575 has a molecular weight of 1425.87 g/mol, XLogP of 19.18, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 171047575 is sourced from PubChem (CID 171047575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).