3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

C60H98O2Si2 — CID 162426747

IUPAC3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCCCCCCCC[Si](CCCC)(CCCCCCCC)c1cc2ccccc2c(-c2c(O)c([Si](CCCC)(CCCCCCCC)CCCCCCCC)cc3ccccc23)c1O
InChIInChI=1S/C60H98O2Si2/c1-7-13-19-23-27-35-45-63(43-17-11-5,46-36-28-24-20-14-8-2)55-49-51-39-31-33-41-53(51)57(59(55)61)58-54-42-34-32-40-52(54)50-56(60(58)62)64(44-18-12-6,47-37-29-25-21-15-9-3)48-38-30-26-22-16-10-4/h31-34,39-42,49-50,61-62H,7-30,35-38,43-48H2,1-6H3
InChIKeyHUQUXBMSDHMKQP-UHFFFAOYSA-N
MW907.61 g/mol
LogP19.42
Rot. Bonds37

About 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 162426747) has the molecular formula C60H98O2Si2 and a molecular weight of 907.61 g/mol. Its IUPAC name is 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID162426747
Molecular FormulaC60H98O2Si2
Molecular Weight907.61 g/mol
Exact Mass906.71
IUPAC Name3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCCCCCCCC[Si](CCCC)(CCCCCCCC)c1cc2ccccc2c(-c2c(O)c([Si](CCCC)(CCCCCCCC)CCCCCCCC)cc3ccccc23)c1O
InChIInChI=1S/C60H98O2Si2/c1-7-13-19-23-27-35-45-63(43-17-11-5,46-36-28-24-20-14-8-2)55-49-51-39-31-33-41-53(51)57(59(55)61)58-54-42-34-32-40-52(54)50-56(60(58)62)64(44-18-12-6,47-37-29-25-21-15-9-3)48-38-30-26-22-16-10-4/h31-34,39-42,49-50,61-62H,7-30,35-38,43-48H2,1-6H3
InChIKeyHUQUXBMSDHMKQP-UHFFFAOYSA-N
XLogP19.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.61
LogP ≤ 519.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-Hydroxypyrene
CID 21387
1,1'-Methylenebis(2-naphthalenol)
CID 14187
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
CID 74370
3-Hydroxybenzo(a)pyrene
CID 25890
6-Hydroxychrysene
CID 37766
5-Ethenyl-1-methyl-2,7-phenanthrenediol
CID 5316810
Binol
CID 11762
2,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1-methyl-
CID 100801
Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methyl-
CID 14228559
11-Hydroxybenzo(a)pyrene
CID 42029
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
6-(4-Hydroxy-phenyl)-1-phenyl-naphthalen-2-ol
CID 10171886

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (CID 162426747) is 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is CCCCCCCC[Si](CCCC)(CCCCCCCC)c1cc2ccccc2c(-c2c(O)c([Si](CCCC)(CCCCCCCC)CCCCCCCC)cc3ccccc23)c1O.
What is the InChIKey of 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is HUQUXBMSDHMKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H98O2Si2/c1-7-13-19-23-27-35-45-63(43-17-11-5,46-36-28-24-20-14-8-2)55-49-51-39-31-33-41-53(51)57(59(55)61)58-54-42-34-32-40-52(54)50-56(60(58)62)64(44-18-12-6,47-37-29-25-21-15-9-3)48-38-30-26-22-16-10-4/h31-34,39-42,49-50,61-62H,7-30,35-38,43-48H2,1-6H3.
What are the key properties of 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 907.61 g/mol, XLogP of 19.42, 37 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dioctyl)silyl]-1-[3-[butyl(dioctyl)silyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 162426747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).