CID 140958242

C37H33N5OPt — CID 140958242

IUPAC—
SMILESCc1cc(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(C)C)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.[Pt+2]
InChIInChI=1S/C37H33N5O.Pt/c1-22(2)40-21-41(36-32(40)15-12-24(4)39-36)25-17-23(3)18-27(19-25)43-26-13-14-28-29-9-7-10-30-34(29)42(33(28)20-26)35-31(37(30,5)6)11-8-16-38-35;/h7-18,22H,21H2,1-6H3;/q-2;+2
InChIKeyFOORWSZLKVBFBF-UHFFFAOYSA-N
MW758.78 g/mol
LogP8.54
Rot. Bonds4

About CID 140958242

CID 140958242 (PubChem CID 140958242) has the molecular formula C37H33N5OPt and a molecular weight of 758.78 g/mol.

Molecular Properties

Compound NameCID 140958242
PubChem CID140958242
Molecular FormulaC37H33N5OPt
Molecular Weight758.78 g/mol
Exact Mass758.23
IUPAC Name—
SMILESCc1cc(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(C)C)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.[Pt+2]
InChIInChI=1S/C37H33N5O.Pt/c1-22(2)40-21-41(36-32(40)15-12-24(4)39-36)25-17-23(3)18-27(19-25)43-26-13-14-28-29-9-7-10-30-34(29)42(33(28)20-26)35-31(37(30,5)6)11-8-16-38-35;/h7-18,22H,21H2,1-6H3;/q-2;+2
InChIKeyFOORWSZLKVBFBF-UHFFFAOYSA-N
XLogP8.54
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.78
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140958242?
The IUPAC name of CID 140958242 (CID 140958242) is not available.
What is the SMILES notation for CID 140958242?
The canonical SMILES for CID 140958242 is Cc1cc(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(C)C)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.[Pt+2].
What is the InChIKey of CID 140958242?
The InChIKey is FOORWSZLKVBFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5O.Pt/c1-22(2)40-21-41(36-32(40)15-12-24(4)39-36)25-17-23(3)18-27(19-25)43-26-13-14-28-29-9-7-10-30-34(29)42(33(28)20-26)35-31(37(30,5)6)11-8-16-38-35;/h7-18,22H,21H2,1-6H3;/q-2;+2.
What are the key properties of CID 140958242?
CID 140958242 has a molecular weight of 758.78 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140958242 is sourced from PubChem (CID 140958242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).