CID 162278985

C27H31NOSi — CID 162278985

IUPAC—
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2[Si]c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C27H31NOSi/c1-26(2,3)20-16-19(25(29)22(17-20)27(4,5)6)18-28-23-14-10-11-15-24(23)30-21-12-8-7-9-13-21/h7-18,29H,1-6H3/b28-18+
InChIKeyMHPPGTLGWYASDG-MTDXEUNCSA-N
MW413.64 g/mol
LogP5.39
Rot. Bonds4

About CID 162278985

CID 162278985 (PubChem CID 162278985) has the molecular formula C27H31NOSi and a molecular weight of 413.64 g/mol.

Molecular Properties

Compound NameCID 162278985
PubChem CID162278985
Molecular FormulaC27H31NOSi
Molecular Weight413.64 g/mol
Exact Mass413.22
IUPAC Name—
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2[Si]c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C27H31NOSi/c1-26(2,3)20-16-19(25(29)22(17-20)27(4,5)6)18-28-23-14-10-11-15-24(23)30-21-12-8-7-9-13-21/h7-18,29H,1-6H3/b28-18+
InChIKeyMHPPGTLGWYASDG-MTDXEUNCSA-N
XLogP5.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.64
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 137211461
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
CID 137225849
2,4-ditert-butyl-6-[(2-phenylsulfanylphenyl)iminomethyl]phenol;trichlorotitanium
CID 135475785
2,4-ditert-butyl-6-[[2-[[3,5-ditert-butyl-2-[chloro(methyl)alumanyl]oxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
CID 155648257
3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzaldehyde
CID 175778675
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687

Frequently Asked Questions

What is the IUPAC name of CID 162278985?
The IUPAC name of CID 162278985 (CID 162278985) is not available.
What is the SMILES notation for CID 162278985?
The canonical SMILES for CID 162278985 is CC(C)(C)c1cc(/C=N/c2ccccc2[Si]c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of CID 162278985?
The InChIKey is MHPPGTLGWYASDG-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H31NOSi/c1-26(2,3)20-16-19(25(29)22(17-20)27(4,5)6)18-28-23-14-10-11-15-24(23)30-21-12-8-7-9-13-21/h7-18,29H,1-6H3/b28-18+.
What are the key properties of CID 162278985?
CID 162278985 has a molecular weight of 413.64 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162278985 is sourced from PubChem (CID 162278985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).