[2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane

C38H36OSi — CID 67207710

IUPAC[2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1ccccc1[Si](C)(C)C1c2cc(-c3cccc(C)c3)ccc2-c2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C38H36OSi/c1-6-21-39-36-15-7-8-16-37(36)40(4,5)38-34-24-30(28-13-9-11-26(2)22-28)17-19-32(34)33-20-18-31(25-35(33)38)29-14-10-12-27(3)23-29/h6-20,22-25,38H,1,21H2,2-5H3
InChIKeyAEGFCXLZUYOCOE-UHFFFAOYSA-N
MW536.79 g/mol
LogP9.47
Rot. Bonds7

About [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane

[2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane (PubChem CID 67207710) has the molecular formula C38H36OSi and a molecular weight of 536.79 g/mol. Its IUPAC name is [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane.

Molecular Properties

Compound Name[2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane
PubChem CID67207710
Molecular FormulaC38H36OSi
Molecular Weight536.79 g/mol
Exact Mass536.25
IUPAC Name[2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1ccccc1[Si](C)(C)C1c2cc(-c3cccc(C)c3)ccc2-c2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C38H36OSi/c1-6-21-39-36-15-7-8-16-37(36)40(4,5)38-34-24-30(28-13-9-11-26(2)22-28)17-19-32(34)33-20-18-31(25-35(33)38)29-14-10-12-27(3)23-29/h6-20,22-25,38H,1,21H2,2-5H3
InChIKeyAEGFCXLZUYOCOE-UHFFFAOYSA-N
XLogP9.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.79
LogP ≤ 59.47
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-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane?
The IUPAC name of [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane (CID 67207710) is [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane.
What is the SMILES notation for [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane?
The canonical SMILES for [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane is C=CCOc1ccccc1[Si](C)(C)C1c2cc(-c3cccc(C)c3)ccc2-c2ccc(-c3cccc(C)c3)cc21.
What is the InChIKey of [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane?
The InChIKey is AEGFCXLZUYOCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36OSi/c1-6-21-39-36-15-7-8-16-37(36)40(4,5)38-34-24-30(28-13-9-11-26(2)22-28)17-19-32(34)33-20-18-31(25-35(33)38)29-14-10-12-27(3)23-29/h6-20,22-25,38H,1,21H2,2-5H3.
What are the key properties of [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane?
[2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane has a molecular weight of 536.79 g/mol, XLogP of 9.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane is sourced from PubChem (CID 67207710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).