CID 173269012

C33H50HfNSi-2 — CID 173269012

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[Hf].[NH-]C1CCCCCCCCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H20N.C9H13.C2H7Si.Hf/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-10-8-6-4-2-1-3-5-7-9-10;1-6-5-7(2)9(4)8(6)3;1-3-2;/h1-10H;10-11H,1-9H2;6H,1-4H3;3H,1-2H3;/q;2*-1;;
InChIKeySUSJPNIEULWQHW-UHFFFAOYSA-N
MW667.35 g/mol
LogP10.52
Rot. Bonds1

About CID 173269012

CID 173269012 (PubChem CID 173269012) has the molecular formula C33H50HfNSi-2 and a molecular weight of 667.35 g/mol.

Molecular Properties

Compound NameCID 173269012
PubChem CID173269012
Molecular FormulaC33H50HfNSi-2
Molecular Weight667.35 g/mol
Exact Mass668.32
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[Hf].[NH-]C1CCCCCCCCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H20N.C9H13.C2H7Si.Hf/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-10-8-6-4-2-1-3-5-7-9-10;1-6-5-7(2)9(4)8(6)3;1-3-2;/h1-10H;10-11H,1-9H2;6H,1-4H3;3H,1-2H3;/q;2*-1;;
InChIKeySUSJPNIEULWQHW-UHFFFAOYSA-N
XLogP10.52
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.35
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173269012 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 173269010
CID 173269010
CID 173269353
CID 173269353
CID 173180096
CID 173180096
CID 173180083
CID 173180083
CID 173198594
CID 173198594
CID 173211836
CID 173211836
CID 174442586
CID 174442586
CID 173068076
CID 173068076
CID 173020378
CID 173020378
CID 173001398
CID 173001398
CID 173031450
CID 173031450
bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
CID 173134555

Frequently Asked Questions

What is the IUPAC name of CID 173269012?
The IUPAC name of CID 173269012 (CID 173269012) is not available.
What is the SMILES notation for CID 173269012?
The canonical SMILES for CID 173269012 is CC1=[C-]C(C)C(C)=C1C.C[SiH]C.[Hf].[NH-]C1CCCCCCCCC1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 173269012?
The InChIKey is SUSJPNIEULWQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H20N.C9H13.C2H7Si.Hf/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-10-8-6-4-2-1-3-5-7-9-10;1-6-5-7(2)9(4)8(6)3;1-3-2;/h1-10H;10-11H,1-9H2;6H,1-4H3;3H,1-2H3;/q;2*-1;;.
What are the key properties of CID 173269012?
CID 173269012 has a molecular weight of 667.35 g/mol, XLogP of 10.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173269012 is sourced from PubChem (CID 173269012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).