CID 153428992

C₃₇H₂₆N₄OPt — CID 153428992

About CID 153428992

CID 153428992 (PubChem CID 153428992) has the molecular formula C₃₇H₂₆N₄OPt and a molecular weight of 737.72 g/mol.

Molecular Properties

• Compound Name: CID 153428992
• PubChem CID: 153428992
• Molecular Formula: C₃₇H₂₆N₄OPt
• Molecular Weight: 737.72 g/mol
• Exact Mass: 737.18
• IUPAC Name: —
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3c2)c1.[Pt+2]
• InChI: InChI=1S/C37H26N4O.Pt/c1-37(2,3)25-16-18-38-32(21-25)24-19-23-9-4-5-10-27(23)34(20-24)42-26-14-15-28-29-11-8-17-39-35(29)41-33-13-7-6-12-31(33)40-36(41)30(28)22-26;/h4-19,21H,1-3H3;/q-2;+2
• InChIKey: NNQPITIYWLZCSX-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 52.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.72
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 153428992?

The IUPAC name of CID 153428992 (CID 153428992) is not available.

What is the SMILES notation for CID 153428992?

The canonical SMILES for CID 153428992 is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3c2)c1.[Pt+2].

What is the InChIKey of CID 153428992?

The InChIKey is NNQPITIYWLZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4O.Pt/c1-37(2,3)25-16-18-38-32(21-25)24-19-23-9-4-5-10-27(23)34(20-24)42-26-14-15-28-29-11-8-17-39-35(29)41-33-13-7-6-12-31(33)40-36(41)30(28)22-26;/h4-19,21H,1-3H3;/q-2;+2.

What are the key properties of CID 153428992?

CID 153428992 has a molecular weight of 737.72 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 153428992 is sourced from PubChem (CID 153428992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153428992 — identifiers, structure, computed properties (public domain)

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