CID 176823155

C75H64N6O2Pt — CID 176823155

About CID 176823155

CID 176823155 (PubChem CID 176823155) has the molecular formula C75H64N6O2Pt and a molecular weight of 1276.45 g/mol.

Molecular Properties

• Compound Name: CID 176823155
• PubChem CID: 176823155
• Molecular Formula: C75H64N6O2Pt
• Molecular Weight: 1276.45 g/mol
• Exact Mass: 1275.47
• IUPAC Name: —
• SMILES: Cc1cc2c(oc3cnc4c(c32)Cc2c(-c3nc5ccccc5n3-c3c(C(C)C)cc(-c5ccccc5)cc3C(C)C)[c-]c(Oc3[c-]c(-c5nc6ccccc6n5-c5c(C(C)C)cc(-c6ccccc6)cc5C(C)C)ccc3)cc2-4)c(C)n1.[Pt+2]
• InChI: InChI=1S/C75H64N6O2.Pt/c1-42(2)55-34-51(48-22-13-11-14-23-48)35-56(43(3)4)71(55)80-66-30-19-17-28-64(66)78-74(80)50-26-21-27-53(33-50)82-54-38-60-59(40-62-69-63-32-46(9)77-47(10)73(63)83-68(69)41-76-70(60)62)61(39-54)75-79-65-29-18-20-31-67(65)81(75)72-57(44(5)6)36-52(37-58(72)45(7)8)49-24-15-12-16-25-49;/h11-32,34-38,41-45H,40H2,1-10H3;/q-2;+2
• InChIKey: YGQCIBSDIJZOLQ-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 83.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1276.45
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 176823155?

The IUPAC name of CID 176823155 (CID 176823155) is not available.

What is the SMILES notation for CID 176823155?

The canonical SMILES for CID 176823155 is Cc1cc2c(oc3cnc4c(c32)Cc2c(-c3nc5ccccc5n3-c3c(C(C)C)cc(-c5ccccc5)cc3C(C)C)[c-]c(Oc3[c-]c(-c5nc6ccccc6n5-c5c(C(C)C)cc(-c6ccccc6)cc5C(C)C)ccc3)cc2-4)c(C)n1.[Pt+2].

What is the InChIKey of CID 176823155?

The InChIKey is YGQCIBSDIJZOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H64N6O2.Pt/c1-42(2)55-34-51(48-22-13-11-14-23-48)35-56(43(3)4)71(55)80-66-30-19-17-28-64(66)78-74(80)50-26-21-27-53(33-50)82-54-38-60-59(40-62-69-63-32-46(9)77-47(10)73(63)83-68(69)41-76-70(60)62)61(39-54)75-79-65-29-18-20-31-67(65)81(75)72-57(44(5)6)36-52(37-58(72)45(7)8)49-24-15-12-16-25-49;/h11-32,34-38,41-45H,40H2,1-10H3;/q-2;+2.

What are the key properties of CID 176823155?

CID 176823155 has a molecular weight of 1276.45 g/mol, XLogP of 19.79, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for CID 176823155 is sourced from PubChem (CID 176823155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).