CID 155650128

C48H44N8OPt — CID 155650128

About CID 155650128

CID 155650128 (PubChem CID 155650128) has the molecular formula C48H44N8OPt and a molecular weight of 944.01 g/mol.

Molecular Properties

• Compound Name: CID 155650128
• PubChem CID: 155650128
• Molecular Formula: C48H44N8OPt
• Molecular Weight: 944.01 g/mol
• Exact Mass: 943.33
• IUPAC Name: —
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c2cccnc2n2c3[c-]c(Oc4[c-]c5c(cc4)nc4n(-c6c(C(C)C)cccc6C(C)C)c6cccnc6n54)ccc3nc12.[Pt+2]
• InChI: InChI=1S/C48H44N8O.Pt/c1-27(2)33-13-9-14-34(28(3)4)43(33)53-39-17-11-23-49-45(39)55-41-25-31(19-21-37(41)51-47(53)55)57-32-20-22-38-42(26-32)56-46-40(18-12-24-50-46)54(48(56)52-38)44-35(29(5)6)15-10-16-36(44)30(7)8;/h9-24,27-30H,1-8H3;/q-2;+2
• InChIKey: KQWCOKMIBCTHDB-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 79.47 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.01
LogP ≤ 5	11.85
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 155650128?

The IUPAC name of CID 155650128 (CID 155650128) is not available.

What is the SMILES notation for CID 155650128?

The canonical SMILES for CID 155650128 is CC(C)c1cccc(C(C)C)c1-n1c2cccnc2n2c3[c-]c(Oc4[c-]c5c(cc4)nc4n(-c6c(C(C)C)cccc6C(C)C)c6cccnc6n54)ccc3nc12.[Pt+2].

What is the InChIKey of CID 155650128?

The InChIKey is KQWCOKMIBCTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N8O.Pt/c1-27(2)33-13-9-14-34(28(3)4)43(33)53-39-17-11-23-49-45(39)55-41-25-31(19-21-37(41)51-47(53)55)57-32-20-22-38-42(26-32)56-46-40(18-12-24-50-46)54(48(56)52-38)44-35(29(5)6)15-10-16-36(44)30(7)8;/h9-24,27-30H,1-8H3;/q-2;+2.

What are the key properties of CID 155650128?

CID 155650128 has a molecular weight of 944.01 g/mol, XLogP of 11.85, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for CID 155650128 is sourced from PubChem (CID 155650128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).