CID 173269297

C38H55HfNSi-3 — CID 173269297

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CCCCCCCCCC[NH-].[CH3-].[Hf].[SiH2]c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H22N.C9H13.C6H7Si.CH3.Hf/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-11;1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;;/h1-10H;11H,2-10H2,1H3;6H,1-4H3;1-5H,7H2;1H3;/q;2*-1;;-1;
InChIKeyRHVYXRONTKGWIL-UHFFFAOYSA-N
MW732.44 g/mol
LogP10.65
Rot. Bonds9

About CID 173269297

CID 173269297 (PubChem CID 173269297) has the molecular formula C38H55HfNSi-3 and a molecular weight of 732.44 g/mol.

Molecular Properties

Compound NameCID 173269297
PubChem CID173269297
Molecular FormulaC38H55HfNSi-3
Molecular Weight732.44 g/mol
Exact Mass733.36
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CCCCCCCCCC[NH-].[CH3-].[Hf].[SiH2]c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H22N.C9H13.C6H7Si.CH3.Hf/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-11;1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;;/h1-10H;11H,2-10H2,1H3;6H,1-4H3;1-5H,7H2;1H3;/q;2*-1;;-1;
InChIKeyRHVYXRONTKGWIL-UHFFFAOYSA-N
XLogP10.65
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.44
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173269297 with MolForge

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

Launch Full Analysis

Related Compounds

CID 173269338
CID 173269338
CID 173222290
CID 173222290
CID 173022144
CID 173022144
CID 173149692
CID 173149692
1,1'-biphenyl;hexadecane
CID 173308514
CID 90234349
CID 90234349
CID 173269010
CID 173269010
cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 173069398
benzhydrylidenezirconium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 21465836
benzylsilylidenetitanium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 173149926
CID 173068076
CID 173068076
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
CID 174493495

Frequently Asked Questions

What is the IUPAC name of CID 173269297?
The IUPAC name of CID 173269297 (CID 173269297) is not available.
What is the SMILES notation for CID 173269297?
The canonical SMILES for CID 173269297 is CC1=[C-]C(C)C(C)=C1C.CCCCCCCCCC[NH-].[CH3-].[Hf].[SiH2]c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 173269297?
The InChIKey is RHVYXRONTKGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H22N.C9H13.C6H7Si.CH3.Hf/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-11;1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;;/h1-10H;11H,2-10H2,1H3;6H,1-4H3;1-5H,7H2;1H3;/q;2*-1;;-1;.
What are the key properties of CID 173269297?
CID 173269297 has a molecular weight of 732.44 g/mol, XLogP of 10.65, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173269297 is sourced from PubChem (CID 173269297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).