anthracen-9-yl(triethoxy)silane;9-bromoanthracene

C34H33BrO3Si — CID 159949350

IUPACanthracen-9-yl(triethoxy)silane;9-bromoanthracene
SMILESBrc1c2ccccc2cc2ccccc12.CCO[Si](OCC)(OCC)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H24O3Si.C14H9Br/c1-4-21-24(22-5-2,23-6-3)20-18-13-9-7-11-16(18)15-17-12-8-10-14-19(17)20;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h7-15H,4-6H2,1-3H3;1-9H
InChIKeyOBXDGYZHDYBMCJ-UHFFFAOYSA-N
MW597.63 g/mol
LogP9.00
Rot. Bonds7

About anthracen-9-yl(triethoxy)silane;9-bromoanthracene

anthracen-9-yl(triethoxy)silane;9-bromoanthracene (PubChem CID 159949350) has the molecular formula C34H33BrO3Si and a molecular weight of 597.63 g/mol. Its IUPAC name is anthracen-9-yl(triethoxy)silane;9-bromoanthracene.

Molecular Properties

Compound Nameanthracen-9-yl(triethoxy)silane;9-bromoanthracene
PubChem CID159949350
Molecular FormulaC34H33BrO3Si
Molecular Weight597.63 g/mol
Exact Mass596.14
IUPAC Nameanthracen-9-yl(triethoxy)silane;9-bromoanthracene
SMILESBrc1c2ccccc2cc2ccccc12.CCO[Si](OCC)(OCC)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H24O3Si.C14H9Br/c1-4-21-24(22-5-2,23-6-3)20-18-13-9-7-11-16(18)15-17-12-8-10-14-19(17)20;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h7-15H,4-6H2,1-3H3;1-9H
InChIKeyOBXDGYZHDYBMCJ-UHFFFAOYSA-N
XLogP9.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.63
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracen-1-yl(triethoxy)silane
CID 87178396
triethoxy(phenanthren-3-yl)silane
CID 165394942
(10-bromoanthracen-9-yl)-trimethoxysilane
CID 59243801
9-bromo-2,3-dimethylanthracene
CID 77134418
[diacetyloxy(anthracen-9-yl)silyl] acetate
CID 175144340
9-bromo-2-methoxyanthracene
CID 11011618
di(anthracen-9-yl)-dimethoxysilane
CID 88898319
10-bromo-2-butylanthracene
CID 155699730
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
9-bromo-2-tert-butylanthracene
CID 23148611
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
(2,6-diiodophenyl)-triethoxysilane
CID 153491328

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl(triethoxy)silane;9-bromoanthracene?
The IUPAC name of anthracen-9-yl(triethoxy)silane;9-bromoanthracene (CID 159949350) is anthracen-9-yl(triethoxy)silane;9-bromoanthracene.
What is the SMILES notation for anthracen-9-yl(triethoxy)silane;9-bromoanthracene?
The canonical SMILES for anthracen-9-yl(triethoxy)silane;9-bromoanthracene is Brc1c2ccccc2cc2ccccc12.CCO[Si](OCC)(OCC)c1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-yl(triethoxy)silane;9-bromoanthracene?
The InChIKey is OBXDGYZHDYBMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3Si.C14H9Br/c1-4-21-24(22-5-2,23-6-3)20-18-13-9-7-11-16(18)15-17-12-8-10-14-19(17)20;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h7-15H,4-6H2,1-3H3;1-9H.
What are the key properties of anthracen-9-yl(triethoxy)silane;9-bromoanthracene?
anthracen-9-yl(triethoxy)silane;9-bromoanthracene has a molecular weight of 597.63 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl(triethoxy)silane;9-bromoanthracene is sourced from PubChem (CID 159949350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).