CID 176823810

C74H62N6O3Pt — CID 176823810

About CID 176823810

CID 176823810 (PubChem CID 176823810) has the molecular formula C74H62N6O3Pt and a molecular weight of 1278.43 g/mol.

Molecular Properties

• Compound Name: CID 176823810
• PubChem CID: 176823810
• Molecular Formula: C74H62N6O3Pt
• Molecular Weight: 1278.43 g/mol
• Exact Mass: 1277.45
• IUPAC Name: —
• SMILES: Cc1ccc2oc3c(C)nc4oc5c(-c6nc7ccccc7n6-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)[c-]c(Oc6[c-]c(-c7nc8ccccc8n7-c7c(C(C)C)cc(-c8ccccc8)cc7C(C)C)ccc6)cc5c4c3c2n1.[Pt+2]
• InChI: InChI=1S/C74H62N6O3.Pt/c1-41(2)54-35-50(47-22-13-11-14-23-47)36-55(42(3)4)68(54)79-62-30-19-17-28-60(62)77-72(79)49-26-21-27-52(34-49)81-53-39-58-65-66-67-64(33-32-45(9)75-67)82-70(66)46(10)76-74(65)83-71(58)59(40-53)73-78-61-29-18-20-31-63(61)80(73)69-56(43(5)6)37-51(38-57(69)44(7)8)48-24-15-12-16-25-48;/h11-33,35-39,41-44H,1-10H3;/q-2;+2
• InChIKey: GEGPVEMLYNBGTC-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 96.93 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1278.43
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 176823810?

The IUPAC name of CID 176823810 (CID 176823810) is not available.

What is the SMILES notation for CID 176823810?

The canonical SMILES for CID 176823810 is Cc1ccc2oc3c(C)nc4oc5c(-c6nc7ccccc7n6-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)[c-]c(Oc6[c-]c(-c7nc8ccccc8n7-c7c(C(C)C)cc(-c8ccccc8)cc7C(C)C)ccc6)cc5c4c3c2n1.[Pt+2].

What is the InChIKey of CID 176823810?

The InChIKey is GEGPVEMLYNBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62N6O3.Pt/c1-41(2)54-35-50(47-22-13-11-14-23-47)36-55(42(3)4)68(54)79-62-30-19-17-28-60(62)77-72(79)49-26-21-27-52(34-49)81-53-39-58-65-66-67-64(33-32-45(9)75-67)82-70(66)46(10)76-74(65)83-71(58)59(40-53)73-78-61-29-18-20-31-63(61)80(73)69-56(43(5)6)37-51(38-57(69)44(7)8)48-24-15-12-16-25-48;/h11-33,35-39,41-44H,1-10H3;/q-2;+2.

What are the key properties of CID 176823810?

CID 176823810 has a molecular weight of 1278.43 g/mol, XLogP of 20.12, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for CID 176823810 is sourced from PubChem (CID 176823810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).