dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane

C24H26Cl2Si — CID 158513645

IUPACdichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane
SMILESCCCCCc1ccc(-c2ccc(-c3ccc([Si](C)(Cl)Cl)cc3)cc2)cc1
InChIInChI=1S/C24H26Cl2Si/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)27(2,25)26/h7-18H,3-6H2,1-2H3
InChIKeyHNXLRHXLPWHGGU-UHFFFAOYSA-N
MW413.46 g/mol
LogP7.51
Rot. Bonds7

About dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane

dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane (PubChem CID 158513645) has the molecular formula C24H26Cl2Si and a molecular weight of 413.46 g/mol. Its IUPAC name is dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane.

Molecular Properties

Compound Namedichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane
PubChem CID158513645
Molecular FormulaC24H26Cl2Si
Molecular Weight413.46 g/mol
Exact Mass412.12
IUPAC Namedichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane
SMILESCCCCCc1ccc(-c2ccc(-c3ccc([Si](C)(Cl)Cl)cc3)cc2)cc1
InChIInChI=1S/C24H26Cl2Si/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)27(2,25)26/h7-18H,3-6H2,1-2H3
InChIKeyHNXLRHXLPWHGGU-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 57.51
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914
(4-decylphenyl)-trimethylsilane
CID 69331769
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
1-pentadecyl-4-phenylbenzene
CID 57166115
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
5-(4-pentylphenyl)pyrimidine
CID 56629303
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-(4-octadecylphenyl)benzenethiol
CID 134936183
1,3-difluoro-5-(4-hexylphenyl)benzene
CID 130468309
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane?
The IUPAC name of dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane (CID 158513645) is dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane.
What is the SMILES notation for dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane?
The canonical SMILES for dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane is CCCCCc1ccc(-c2ccc(-c3ccc([Si](C)(Cl)Cl)cc3)cc2)cc1.
What is the InChIKey of dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane?
The InChIKey is HNXLRHXLPWHGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2Si/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)27(2,25)26/h7-18H,3-6H2,1-2H3.
What are the key properties of dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane?
dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane has a molecular weight of 413.46 g/mol, XLogP of 7.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-[4-[4-(4-pentylphenyl)phenyl]phenyl]silane is sourced from PubChem (CID 158513645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).