CID 20739222

C29H35F2Si — CID 20739222

IUPAC—
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(C[Si](C)C)cc3)cc2)c(F)c1F
InChIInChI=1S/C29H35F2Si/c1-4-5-6-7-8-9-10-26-19-20-27(29(31)28(26)30)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-32(2)3/h11-20H,4-10,21H2,1-3H3
InChIKeyKTEKSAKJRDJTGW-UHFFFAOYSA-N
MW449.68 g/mol
LogP9.04
Rot. Bonds11

About CID 20739222

CID 20739222 (PubChem CID 20739222) has the molecular formula C29H35F2Si and a molecular weight of 449.68 g/mol.

Molecular Properties

Compound NameCID 20739222
PubChem CID20739222
Molecular FormulaC29H35F2Si
Molecular Weight449.68 g/mol
Exact Mass449.25
IUPAC Name—
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(C[Si](C)C)cc3)cc2)c(F)c1F
InChIInChI=1S/C29H35F2Si/c1-4-5-6-7-8-9-10-26-19-20-27(29(31)28(26)30)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-32(2)3/h11-20H,4-10,21H2,1-3H3
InChIKeyKTEKSAKJRDJTGW-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277
CID 20726293
CID 20726293
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
2,3-difluoro-1-pentyl-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene
CID 19013841
2-[4-(4-butyl-2,3-difluorophenyl)phenyl]-5-heptylpyrimidine
CID 19103459
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749

Frequently Asked Questions

What is the IUPAC name of CID 20739222?
The IUPAC name of CID 20739222 (CID 20739222) is not available.
What is the SMILES notation for CID 20739222?
The canonical SMILES for CID 20739222 is CCCCCCCCc1ccc(-c2ccc(-c3ccc(C[Si](C)C)cc3)cc2)c(F)c1F.
What is the InChIKey of CID 20739222?
The InChIKey is KTEKSAKJRDJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2Si/c1-4-5-6-7-8-9-10-26-19-20-27(29(31)28(26)30)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-32(2)3/h11-20H,4-10,21H2,1-3H3.
What are the key properties of CID 20739222?
CID 20739222 has a molecular weight of 449.68 g/mol, XLogP of 9.04, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20739222 is sourced from PubChem (CID 20739222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).