CID 153428779

C33H20N4OPt — CID 153428779

IUPAC—
SMILESCn1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)ccc2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C33H20N4O.Pt/c1-36-30-15-6-3-12-27(30)34-32(36)21-9-8-10-22(19-21)38-23-17-18-24-25-11-2-5-14-29(25)37-31-16-7-4-13-28(31)35-33(37)26(24)20-23;/h2-18H,1H3;/q-2;+2
InChIKeyYDPBPDWVTGNYPP-UHFFFAOYSA-N
MW683.63 g/mol
LogP7.74
Rot. Bonds3

About CID 153428779

CID 153428779 (PubChem CID 153428779) has the molecular formula C33H20N4OPt and a molecular weight of 683.63 g/mol.

Molecular Properties

Compound NameCID 153428779
PubChem CID153428779
Molecular FormulaC33H20N4OPt
Molecular Weight683.63 g/mol
Exact Mass683.13
IUPAC Name—
SMILESCn1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)ccc2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C33H20N4O.Pt/c1-36-30-15-6-3-12-27(30)34-32(36)21-9-8-10-22(19-21)38-23-17-18-24-25-11-2-5-14-29(25)37-31-16-7-4-13-28(31)35-33(37)26(24)20-23;/h2-18H,1H3;/q-2;+2
InChIKeyYDPBPDWVTGNYPP-UHFFFAOYSA-N
XLogP7.74
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.63
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 153428779 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 153428779?
The IUPAC name of CID 153428779 (CID 153428779) is not available.
What is the SMILES notation for CID 153428779?
The canonical SMILES for CID 153428779 is Cn1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)ccc2)nc2ccccc21.[Pt+2].
What is the InChIKey of CID 153428779?
The InChIKey is YDPBPDWVTGNYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O.Pt/c1-36-30-15-6-3-12-27(30)34-32(36)21-9-8-10-22(19-21)38-23-17-18-24-25-11-2-5-14-29(25)37-31-16-7-4-13-28(31)35-33(37)26(24)20-23;/h2-18H,1H3;/q-2;+2.
What are the key properties of CID 153428779?
CID 153428779 has a molecular weight of 683.63 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153428779 is sourced from PubChem (CID 153428779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).