CID 174414122

C26H23Cl2SiZr — CID 174414122

IUPAC—
SMILESCC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1[Si](C)C.Cl[Zr]Cl
InChIInChI=1S/C26H23Si.2ClH.Zr/c1-17-15-24-22(13-8-14-23(24)26(17)27(2)3)25-20-11-6-4-9-18(20)16-19-10-5-7-12-21(19)25;;;/h4-16,26H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyXKKXEOVABYYJDX-UHFFFAOYSA-L
MW525.69 g/mol
LogP8.83
Rot. Bonds2

About CID 174414122

CID 174414122 (PubChem CID 174414122) has the molecular formula C26H23Cl2SiZr and a molecular weight of 525.69 g/mol.

Molecular Properties

Compound NameCID 174414122
PubChem CID174414122
Molecular FormulaC26H23Cl2SiZr
Molecular Weight525.69 g/mol
Exact Mass523.00
IUPAC Name—
SMILESCC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1[Si](C)C.Cl[Zr]Cl
InChIInChI=1S/C26H23Si.2ClH.Zr/c1-17-15-24-22(13-8-14-23(24)26(17)27(2)3)25-20-11-6-4-9-18(20)16-19-10-5-7-12-21(19)25;;;/h4-16,26H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyXKKXEOVABYYJDX-UHFFFAOYSA-L
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.69
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze CID 174414122 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 173305494
CID 173305494
CID 142750810
CID 142750810
1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene
CID 67039723
chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene
CID 159876720
1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 22994948
CID 172998874
CID 172998874
9-anthracen-9-ylanthracene;toluene
CID 86148014
CID 172998932
CID 172998932
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607
9,10-di(anthracen-1-yl)anthracene
CID 58645093
1-tetracen-5-yltetracene
CID 91610936

Frequently Asked Questions

What is the IUPAC name of CID 174414122?
The IUPAC name of CID 174414122 (CID 174414122) is not available.
What is the SMILES notation for CID 174414122?
The canonical SMILES for CID 174414122 is CC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1[Si](C)C.Cl[Zr]Cl.
What is the InChIKey of CID 174414122?
The InChIKey is XKKXEOVABYYJDX-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H23Si.2ClH.Zr/c1-17-15-24-22(13-8-14-23(24)26(17)27(2)3)25-20-11-6-4-9-18(20)16-19-10-5-7-12-21(19)25;;;/h4-16,26H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 174414122?
CID 174414122 has a molecular weight of 525.69 g/mol, XLogP of 8.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174414122 is sourced from PubChem (CID 174414122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).