CID 170654916

C64H62N6OPt-2 — CID 170654916

About CID 170654916

CID 170654916 (PubChem CID 170654916) has the molecular formula C64H62N6OPt-2 and a molecular weight of 1126.32 g/mol.

Molecular Properties

• Compound Name: CID 170654916
• PubChem CID: 170654916
• Molecular Formula: C64H62N6OPt-2
• Molecular Weight: 1126.32 g/mol
• Exact Mass: 1125.46
• IUPAC Name: —
• SMILES: CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)n3)c(-c3c(-c4ccccc4)cccc3-c3ccccc3)n2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C64H62N6O.Pt/c1-61(2,3)44-32-33-65-57(37-44)70-54-29-20-19-26-52(54)53-31-30-48(38-55(53)70)71-49-39-56(64(10,11)12)66-58(40-49)68-41-69(47-35-45(62(4,5)6)34-46(36-47)63(7,8)9)67-60(68)59-50(42-22-15-13-16-23-42)27-21-28-51(59)43-24-17-14-18-25-43;/h13-37,39H,1-12H3;/q-2
• InChIKey: RLUMLABVIOSERT-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 61.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.32
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 170654916?

The IUPAC name of CID 170654916 (CID 170654916) is not available.

What is the SMILES notation for CID 170654916?

The canonical SMILES for CID 170654916 is CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)n3)c(-c3c(-c4ccccc4)cccc3-c3ccccc3)n2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of CID 170654916?

The InChIKey is RLUMLABVIOSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62N6O.Pt/c1-61(2,3)44-32-33-65-57(37-44)70-54-29-20-19-26-52(54)53-31-30-48(38-55(53)70)71-49-39-56(64(10,11)12)66-58(40-49)68-41-69(47-35-45(62(4,5)6)34-46(36-47)63(7,8)9)67-60(68)59-50(42-22-15-13-16-23-42)27-21-28-51(59)43-24-17-14-18-25-43;/h13-37,39H,1-12H3;/q-2;.

What are the key properties of CID 170654916?

CID 170654916 has a molecular weight of 1126.32 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170654916 is sourced from PubChem (CID 170654916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).