CID 177294387

C60H55N4O2Pt- — CID 177294387

About CID 177294387

CID 177294387 (PubChem CID 177294387) has the molecular formula C60H55N4O2Pt- and a molecular weight of 1059.20 g/mol.

Molecular Properties

• Compound Name: CID 177294387
• PubChem CID: 177294387
• Molecular Formula: C60H55N4O2Pt-
• Molecular Weight: 1059.20 g/mol
• Exact Mass: 1058.40
• IUPAC Name: —
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cn4c5ccccc5c5cc6c([c-]c5c4n3)oc3ccccc36)cccc21.[Pt]
• InChI: InChI=1S/C60H55N4O2.Pt/c1-34(2)42-27-37(36-19-12-11-13-20-36)28-43(35(3)4)55(42)64-51-25-18-23-41(54(51)62-58(64)47-29-38(59(5,6)7)30-48(56(47)65)60(8,9)10)49-33-63-50-24-16-14-21-39(50)44-31-45-40-22-15-17-26-52(40)66-53(45)32-46(44)57(63)61-49;/h11-31,33-35,65H,1-10H3;/q-1
• InChIKey: DZNHXJYRPDTNIH-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 68.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.20
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 177294387?

The IUPAC name of CID 177294387 (CID 177294387) is not available.

What is the SMILES notation for CID 177294387?

The canonical SMILES for CID 177294387 is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cn4c5ccccc5c5cc6c([c-]c5c4n3)oc3ccccc36)cccc21.[Pt].

What is the InChIKey of CID 177294387?

The InChIKey is DZNHXJYRPDTNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N4O2.Pt/c1-34(2)42-27-37(36-19-12-11-13-20-36)28-43(35(3)4)55(42)64-51-25-18-23-41(54(51)62-58(64)47-29-38(59(5,6)7)30-48(56(47)65)60(8,9)10)49-33-63-50-24-16-14-21-39(50)44-31-45-40-22-15-17-26-52(40)66-53(45)32-46(44)57(63)61-49;/h11-31,33-35,65H,1-10H3;/q-1;.

What are the key properties of CID 177294387?

CID 177294387 has a molecular weight of 1059.20 g/mol, XLogP of 16.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 177294387 is sourced from PubChem (CID 177294387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).