CID 171048255

C92H70N4OPtSi-2 — CID 171048255

About CID 171048255

CID 171048255 (PubChem CID 171048255) has the molecular formula C92H70N4OPtSi-2 and a molecular weight of 1494.91 g/mol.

Molecular Properties

• Compound Name: CID 171048255
• PubChem CID: 171048255
• Molecular Formula: C92H70N4OPtSi-2
• Molecular Weight: 1494.91 g/mol
• Exact Mass: 1493.65
• IUPAC Name: —
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc3c2-c2cccc(-c4ccc(C(C)(C)C)cc4)c2-[n+]2[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cc(-c5c([2H])c([2H])c([2H])c([Si](c6c([2H])c([2H])c([2H])c([2H])c6[2H])(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5[2H])cc(c42)-c2ccccc2-3)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C92H70N4OSi.Pt/c1-91(2,3)66-49-47-63(48-50-66)76-43-26-45-82-88-75(62-27-11-7-12-28-62)42-25-44-81(88)77-39-19-20-40-78(77)83-56-65(64-29-23-38-74(55-64)98(71-32-13-8-14-33-71,72-34-15-9-16-35-72)73-36-17-10-18-37-73)57-86-90(83)95(89(76)82)61-94(86)68-30-24-31-69(59-68)97-70-51-52-80-79-41-21-22-46-84(79)96(85(80)60-70)87-58-67(53-54-93-87)92(4,5)6;/h7-58H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,27D,28D,29D,32D,33D,34D,35D,36D,37D,38D,55D
• InChIKey: QATGBHQCRMGHNK-NIUOZTIMSA-N
• XLogP: 19.88
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1494.91
LogP ≤ 5	19.88
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 171048255?

The IUPAC name of CID 171048255 (CID 171048255) is not available.

What is the SMILES notation for CID 171048255?

The canonical SMILES for CID 171048255 is [2H]c1c([2H])c([2H])c(-c2cccc3c2-c2cccc(-c4ccc(C(C)(C)C)cc4)c2-[n+]2[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cc(-c5c([2H])c([2H])c([2H])c([Si](c6c([2H])c([2H])c([2H])c([2H])c6[2H])(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5[2H])cc(c42)-c2ccccc2-3)c([2H])c1[2H].[Pt].

What is the InChIKey of CID 171048255?

The InChIKey is QATGBHQCRMGHNK-NIUOZTIMSA-N. The full InChI is InChI=1S/C92H70N4OSi.Pt/c1-91(2,3)66-49-47-63(48-50-66)76-43-26-45-82-88-75(62-27-11-7-12-28-62)42-25-44-81(88)77-39-19-20-40-78(77)83-56-65(64-29-23-38-74(55-64)98(71-32-13-8-14-33-71,72-34-15-9-16-35-72)73-36-17-10-18-37-73)57-86-90(83)95(89(76)82)61-94(86)68-30-24-31-69(59-68)97-70-51-52-80-79-41-21-22-46-84(79)96(85(80)60-70)87-58-67(53-54-93-87)92(4,5)6;/h7-58H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,27D,28D,29D,32D,33D,34D,35D,36D,37D,38D,55D;.

What are the key properties of CID 171048255?

CID 171048255 has a molecular weight of 1494.91 g/mol, XLogP of 19.88, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 171048255 is sourced from PubChem (CID 171048255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).