(2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane

C26H26Cl2OSi — CID 69233062

IUPAC(2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1ccccc1[Si](CC)(CC)C1c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C26H26Cl2OSi/c1-4-15-29-24-9-7-8-10-25(24)30(5-2,6-3)26-22-16-18(27)11-13-20(22)21-14-12-19(28)17-23(21)26/h4,7-14,16-17,26H,1,5-6,15H2,2-3H3
InChIKeyNTRVNRIMAVMZCB-UHFFFAOYSA-N
MW453.49 g/mol
LogP7.61
Rot. Bonds7

About (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane

(2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane (PubChem CID 69233062) has the molecular formula C26H26Cl2OSi and a molecular weight of 453.49 g/mol. Its IUPAC name is (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane.

Molecular Properties

Compound Name(2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane
PubChem CID69233062
Molecular FormulaC26H26Cl2OSi
Molecular Weight453.49 g/mol
Exact Mass452.11
IUPAC Name(2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1ccccc1[Si](CC)(CC)C1c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C26H26Cl2OSi/c1-4-15-29-24-9-7-8-10-25(24)30(5-2,6-3)26-22-16-18(27)11-13-20(22)21-14-12-19(28)17-23(21)26/h4,7-14,16-17,26H,1,5-6,15H2,2-3H3
InChIKeyNTRVNRIMAVMZCB-UHFFFAOYSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 57.61
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 (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane?
The IUPAC name of (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane (CID 69233062) is (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane.
What is the SMILES notation for (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane?
The canonical SMILES for (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane is C=CCOc1ccccc1[Si](CC)(CC)C1c2cc(Cl)ccc2-c2ccc(Cl)cc21.
What is the InChIKey of (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane?
The InChIKey is NTRVNRIMAVMZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2OSi/c1-4-15-29-24-9-7-8-10-25(24)30(5-2,6-3)26-22-16-18(27)11-13-20(22)21-14-12-19(28)17-23(21)26/h4,7-14,16-17,26H,1,5-6,15H2,2-3H3.
What are the key properties of (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane?
(2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane has a molecular weight of 453.49 g/mol, XLogP of 7.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane is sourced from PubChem (CID 69233062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).