CID 57092052

C42H50O2Si3 — CID 57092052

IUPAC—
SMILESCC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1c1ccc([Si]c2ccc(C3C(O[Si](C)(C)C(C)(C)C)=Cc4ccccc43)cc2)cc1
InChIInChI=1S/C42H50O2Si3/c1-41(2,3)46(7,8)43-37-27-31-15-11-13-17-35(31)39(37)29-19-23-33(24-20-29)45-34-25-21-30(22-26-34)40-36-18-14-12-16-32(36)28-38(40)44-47(9,10)42(4,5)6/h11-28,39-40H,1-10H3
InChIKeyPAKNPIUKIXTLSW-UHFFFAOYSA-N
MW671.12 g/mol
LogP10.36
Rot. Bonds8

About CID 57092052

CID 57092052 (PubChem CID 57092052) has the molecular formula C42H50O2Si3 and a molecular weight of 671.12 g/mol.

Molecular Properties

Compound NameCID 57092052
PubChem CID57092052
Molecular FormulaC42H50O2Si3
Molecular Weight671.12 g/mol
Exact Mass670.31
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1c1ccc([Si]c2ccc(C3C(O[Si](C)(C)C(C)(C)C)=Cc4ccccc43)cc2)cc1
InChIInChI=1S/C42H50O2Si3/c1-41(2,3)46(7,8)43-37-27-31-15-11-13-17-35(31)39(37)29-19-23-33(24-20-29)45-34-25-21-30(22-26-34)40-36-18-14-12-16-32(36)28-38(40)44-47(9,10)42(4,5)6/h11-28,39-40H,1-10H3
InChIKeyPAKNPIUKIXTLSW-UHFFFAOYSA-N
XLogP10.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.12
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[1-[2-[2-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-2-yl]oxy]-dimethylsilane;dichlorozirconium
CID 87517651
2-methoxy-1-[2-(2-methoxy-1H-inden-1-yl)phenyl]-1H-indene
CID 151729793
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
CID 154489620
tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane
CID 173164965
CID 69304218
CID 69304218
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-oxo-1,2-dihydroindene-2-carboxylic acid
CID 70120423
CID 10909073
CID 10909073
1-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1H-phthalazin-2-yl]prop-2-en-1-one
CID 70002573
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane
CID 10448479
lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane
CID 177390908
(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one
CID 11347131

Frequently Asked Questions

What is the IUPAC name of CID 57092052?
The IUPAC name of CID 57092052 (CID 57092052) is not available.
What is the SMILES notation for CID 57092052?
The canonical SMILES for CID 57092052 is CC(C)(C)[Si](C)(C)OC1=Cc2ccccc2C1c1ccc([Si]c2ccc(C3C(O[Si](C)(C)C(C)(C)C)=Cc4ccccc43)cc2)cc1.
What is the InChIKey of CID 57092052?
The InChIKey is PAKNPIUKIXTLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50O2Si3/c1-41(2,3)46(7,8)43-37-27-31-15-11-13-17-35(31)39(37)29-19-23-33(24-20-29)45-34-25-21-30(22-26-34)40-36-18-14-12-16-32(36)28-38(40)44-47(9,10)42(4,5)6/h11-28,39-40H,1-10H3.
What are the key properties of CID 57092052?
CID 57092052 has a molecular weight of 671.12 g/mol, XLogP of 10.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57092052 is sourced from PubChem (CID 57092052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).