dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane

C66H76O4Si3 — CID 160590700

IUPACdibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane
SMILESCC[Si](CC)(CC)c1cccc2c1oc1c([Si](CC)(CC)CC)cccc12.CC[Si](CC)(CC)c1cccc2c1oc1ccccc12.Oc1ccccc1-c1ccccc1.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H36OSi2.C18H22OSi.C12H8O.C12H10O/c1-7-26(8-2,9-3)21-17-13-15-19-20-16-14-18-22(24(20)25-23(19)21)27(10-4,11-5)12-6;1-4-20(5-2,6-3)17-13-9-11-15-14-10-7-8-12-16(14)19-18(15)17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h13-18H,7-12H2,1-6H3;7-13H,4-6H2,1-3H3;1-8H;1-9,13H
InChIKeyRCYXUOUPQJNKMW-UHFFFAOYSA-N
MW1017.59 g/mol
LogP18.96
Rot. Bonds13

About dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane

dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane (PubChem CID 160590700) has the molecular formula C66H76O4Si3 and a molecular weight of 1017.59 g/mol. Its IUPAC name is dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane.

Molecular Properties

Compound Namedibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane
PubChem CID160590700
Molecular FormulaC66H76O4Si3
Molecular Weight1017.59 g/mol
Exact Mass1016.51
IUPAC Namedibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane
SMILESCC[Si](CC)(CC)c1cccc2c1oc1c([Si](CC)(CC)CC)cccc12.CC[Si](CC)(CC)c1cccc2c1oc1ccccc12.Oc1ccccc1-c1ccccc1.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H36OSi2.C18H22OSi.C12H8O.C12H10O/c1-7-26(8-2,9-3)21-17-13-15-19-20-16-14-18-22(24(20)25-23(19)21)27(10-4,11-5)12-6;1-4-20(5-2,6-3)17-13-9-11-15-14-10-7-8-12-16(14)19-18(15)17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h13-18H,7-12H2,1-6H3;7-13H,4-6H2,1-3H3;1-8H;1-9,13H
InChIKeyRCYXUOUPQJNKMW-UHFFFAOYSA-N
XLogP18.96
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.59
LogP ≤ 518.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-4-yl(trimethyl)silane
CID 10752569
cyclohexatrienol;dibenzofuran-4-yl(triethyl)silane;methoxycyclohexatriene;4-methoxydibenzofuran;2-methoxyphenol;1-methoxy-2-phenoxybenzene;2-(3-methoxyphenyl)phenol;2-methoxy-6-phenylphenol;2-phenoxyphenol;triethyl-(2-phenoxyphenyl)silane
CID 160897108
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
dibenzofuran;ethanol
CID 174821059
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481309
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 170524324
4-(4-propylphenyl)dibenzofuran
CID 156827246
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane?
The IUPAC name of dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane (CID 160590700) is dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane.
What is the SMILES notation for dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane?
The canonical SMILES for dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane is CC[Si](CC)(CC)c1cccc2c1oc1c([Si](CC)(CC)CC)cccc12.CC[Si](CC)(CC)c1cccc2c1oc1ccccc12.Oc1ccccc1-c1ccccc1.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane?
The InChIKey is RCYXUOUPQJNKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36OSi2.C18H22OSi.C12H8O.C12H10O/c1-7-26(8-2,9-3)21-17-13-15-19-20-16-14-18-22(24(20)25-23(19)21)27(10-4,11-5)12-6;1-4-20(5-2,6-3)17-13-9-11-15-14-10-7-8-12-16(14)19-18(15)17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h13-18H,7-12H2,1-6H3;7-13H,4-6H2,1-3H3;1-8H;1-9,13H.
What are the key properties of dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane?
dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane has a molecular weight of 1017.59 g/mol, XLogP of 18.96, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;dibenzofuran-4-yl(triethyl)silane;2-phenylphenol;triethyl-(6-triethylsilyldibenzofuran-4-yl)silane is sourced from PubChem (CID 160590700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).