CID 170654623

C69H48N6OPt-2 — CID 170654623

About CID 170654623

CID 170654623 (PubChem CID 170654623) has the molecular formula C69H48N6OPt-2 and a molecular weight of 1172.26 g/mol.

Molecular Properties

• Compound Name: CID 170654623
• PubChem CID: 170654623
• Molecular Formula: C69H48N6OPt-2
• Molecular Weight: 1172.26 g/mol
• Exact Mass: 1171.35
• IUPAC Name: —
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c(-c6ccccc6)n5)nc(-c5c(C)cccc5C)c4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C69H48N6O.Pt/c1-46-21-19-22-47(2)67(46)62-41-56(43-66(71-62)74-45-73(69(72-74)53-31-17-8-18-32-53)68-57(50-25-11-5-12-26-50)33-20-34-58(68)51-27-13-6-14-28-51)76-55-36-37-59-60-40-54(49-23-9-4-10-24-49)35-38-63(60)75(64(59)42-55)65-39-48(3)61(44-70-65)52-29-15-7-16-30-52;/h4-41,44H,1-3H3;/q-2
• InChIKey: GCBZVELDACJQKM-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 61.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.26
LogP ≤ 5	16.15
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 170654623?

The IUPAC name of CID 170654623 (CID 170654623) is not available.

What is the SMILES notation for CID 170654623?

The canonical SMILES for CID 170654623 is Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c(-c6ccccc6)n5)nc(-c5c(C)cccc5C)c4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1ccccc1.[Pt].

What is the InChIKey of CID 170654623?

The InChIKey is GCBZVELDACJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N6O.Pt/c1-46-21-19-22-47(2)67(46)62-41-56(43-66(71-62)74-45-73(69(72-74)53-31-17-8-18-32-53)68-57(50-25-11-5-12-26-50)33-20-34-58(68)51-27-13-6-14-28-51)76-55-36-37-59-60-40-54(49-23-9-4-10-24-49)35-38-63(60)75(64(59)42-55)65-39-48(3)61(44-70-65)52-29-15-7-16-30-52;/h4-41,44H,1-3H3;/q-2;.

What are the key properties of CID 170654623?

CID 170654623 has a molecular weight of 1172.26 g/mol, XLogP of 16.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170654623 is sourced from PubChem (CID 170654623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).