CID 173472771

C30H40SiZr — CID 173472771

IUPAC—
SMILESCCCCc1c(C)[cH-]c2ccccc12.CCCCc1c(C)[cH-]c2ccccc12.[CH3-].[CH3-].[Si].[Zr+4]
InChIInChI=1S/2C14H17.2CH3.Si.Zr/c2*1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)13;;;;/h2*5-7,9-10H,3-4,8H2,1-2H3;2*1H3;;/q4*-1;;+4
InChIKeyHECPLLMYJRYAFU-UHFFFAOYSA-N
MW519.96 g/mol
LogP8.94
Rot. Bonds6

About CID 173472771

CID 173472771 (PubChem CID 173472771) has the molecular formula C30H40SiZr and a molecular weight of 519.96 g/mol.

Molecular Properties

Compound NameCID 173472771
PubChem CID173472771
Molecular FormulaC30H40SiZr
Molecular Weight519.96 g/mol
Exact Mass518.19
IUPAC Name—
SMILESCCCCc1c(C)[cH-]c2ccccc12.CCCCc1c(C)[cH-]c2ccccc12.[CH3-].[CH3-].[Si].[Zr+4]
InChIInChI=1S/2C14H17.2CH3.Si.Zr/c2*1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)13;;;;/h2*5-7,9-10H,3-4,8H2,1-2H3;2*1H3;;/q4*-1;;+4
InChIKeyHECPLLMYJRYAFU-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.96
LogP ≤ 58.94
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 173472771 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

9,10-dibutylanthracene
CID 605822
CID 172774837
CID 172774837
carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)
CID 161032524
CID 173338119
CID 173338119
9-butyl-10-methylanthracene
CID 22754688
3-methyl-2-[2-(3-methyl-1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 22601087
1-butyl-3-[2-(3-butyl-1H-inden-1-id-2-yl)propan-2-yl]inden-3-ide;zirconium(4+);dichloride
CID 87674419
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
CID 173178804
CID 173178804
CID 173178803
CID 173178803
9-butylacridine
CID 606127
3,4-dibutylnaphthalene-1,2-dicarboxylic acid
CID 19809825

Frequently Asked Questions

What is the IUPAC name of CID 173472771?
The IUPAC name of CID 173472771 (CID 173472771) is not available.
What is the SMILES notation for CID 173472771?
The canonical SMILES for CID 173472771 is CCCCc1c(C)[cH-]c2ccccc12.CCCCc1c(C)[cH-]c2ccccc12.[CH3-].[CH3-].[Si].[Zr+4].
What is the InChIKey of CID 173472771?
The InChIKey is HECPLLMYJRYAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17.2CH3.Si.Zr/c2*1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)13;;;;/h2*5-7,9-10H,3-4,8H2,1-2H3;2*1H3;;/q4*-1;;+4.
What are the key properties of CID 173472771?
CID 173472771 has a molecular weight of 519.96 g/mol, XLogP of 8.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173472771 is sourced from PubChem (CID 173472771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).