CID 10897014

C17H27BKN6Pt — CID 10897014

IUPAC—
SMILESCc1cc(C)n([B-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[CH3-].[CH3-].[K+].[Pt+2]
InChIInChI=1S/C15H21BN6.2CH3.K.Pt/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;;;/h7-9H,1-6H3;2*1H3;;/q3*-1;+1;+2
InChIKeyBBUAGBQHODSMND-UHFFFAOYSA-N
MW560.43 g/mol
LogP-0.04
Rot. Bonds3

About CID 10897014

CID 10897014 (PubChem CID 10897014) has the molecular formula C17H27BKN6Pt and a molecular weight of 560.43 g/mol.

Molecular Properties

Compound NameCID 10897014
PubChem CID10897014
Molecular FormulaC17H27BKN6Pt
Molecular Weight560.43 g/mol
Exact Mass560.17
IUPAC Name—
SMILESCc1cc(C)n([B-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[CH3-].[CH3-].[K+].[Pt+2]
InChIInChI=1S/C15H21BN6.2CH3.K.Pt/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;;;/h7-9H,1-6H3;2*1H3;;/q3*-1;+1;+2
InChIKeyBBUAGBQHODSMND-UHFFFAOYSA-N
XLogP-0.04
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10897014?
The IUPAC name of CID 10897014 (CID 10897014) is not available.
What is the SMILES notation for CID 10897014?
The canonical SMILES for CID 10897014 is Cc1cc(C)n([B-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[CH3-].[CH3-].[K+].[Pt+2].
What is the InChIKey of CID 10897014?
The InChIKey is BBUAGBQHODSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BN6.2CH3.K.Pt/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;;;;/h7-9H,1-6H3;2*1H3;;/q3*-1;+1;+2.
What are the key properties of CID 10897014?
CID 10897014 has a molecular weight of 560.43 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10897014 is sourced from PubChem (CID 10897014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).