(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane

C43H46OSi — CID 69232322

IUPAC(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1[Si](CC)(CC)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C43H46OSi/c1-8-25-44-41-39(43(5,6)7)26-30(4)27-40(41)45(9-2,10-3)42-37-28-33(31-17-13-11-14-18-31)21-23-35(37)36-24-22-34(29-38(36)42)32-19-15-12-16-20-32/h8,11-24,26-29,42H,1,9-10,25H2,2-7H3
InChIKeyBGXMVQARZQYWPX-UHFFFAOYSA-N
MW606.93 g/mol
LogP11.24
Rot. Bonds9

About (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane

(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane (PubChem CID 69232322) has the molecular formula C43H46OSi and a molecular weight of 606.93 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane
PubChem CID69232322
Molecular FormulaC43H46OSi
Molecular Weight606.93 g/mol
Exact Mass606.33
IUPAC Name(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1[Si](CC)(CC)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C43H46OSi/c1-8-25-44-41-39(43(5,6)7)26-30(4)27-40(41)45(9-2,10-3)42-37-28-33(31-17-13-11-14-18-31)21-23-35(37)36-24-22-34(29-38(36)42)32-19-15-12-16-20-32/h8,11-24,26-29,42H,1,9-10,25H2,2-7H3
InChIKeyBGXMVQARZQYWPX-UHFFFAOYSA-N
XLogP11.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.93
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane?
The IUPAC name of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane (CID 69232322) is (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane.
What is the SMILES notation for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane?
The canonical SMILES for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane is C=CCOc1c(C(C)(C)C)cc(C)cc1[Si](CC)(CC)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane?
The InChIKey is BGXMVQARZQYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46OSi/c1-8-25-44-41-39(43(5,6)7)26-30(4)27-40(41)45(9-2,10-3)42-37-28-33(31-17-13-11-14-18-31)21-23-35(37)36-24-22-34(29-38(36)42)32-19-15-12-16-20-32/h8,11-24,26-29,42H,1,9-10,25H2,2-7H3.
What are the key properties of (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane?
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane has a molecular weight of 606.93 g/mol, XLogP of 11.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane is sourced from PubChem (CID 69232322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).