[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane

C42H38OSi — CID 67207793

IUPAC[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
SMILESC=CCOc1c([Si](C)(C)C2c3cc(-c4ccccc4C)ccc3-c3ccc(-c4ccccc4C)cc32)ccc2ccccc12
InChIInChI=1S/C42H38OSi/c1-6-25-43-41-35-18-12-9-15-30(35)21-24-40(41)44(4,5)42-38-26-31(33-16-10-7-13-28(33)2)19-22-36(38)37-23-20-32(27-39(37)42)34-17-11-8-14-29(34)3/h6-24,26-27,42H,1,25H2,2-5H3
InChIKeyDVJGAYADIYIFEZ-UHFFFAOYSA-N
MW586.85 g/mol
LogP10.62
Rot. Bonds7

About [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane

[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane (PubChem CID 67207793) has the molecular formula C42H38OSi and a molecular weight of 586.85 g/mol. Its IUPAC name is [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane.

Molecular Properties

Compound Name[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
PubChem CID67207793
Molecular FormulaC42H38OSi
Molecular Weight586.85 g/mol
Exact Mass586.27
IUPAC Name[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
SMILESC=CCOc1c([Si](C)(C)C2c3cc(-c4ccccc4C)ccc3-c3ccc(-c4ccccc4C)cc32)ccc2ccccc12
InChIInChI=1S/C42H38OSi/c1-6-25-43-41-35-18-12-9-15-30(35)21-24-40(41)44(4,5)42-38-26-31(33-16-10-7-13-28(33)2)19-22-36(38)37-23-20-32(27-39(37)42)34-17-11-8-14-29(34)3/h6-24,26-27,42H,1,25H2,2-5H3
InChIKeyDVJGAYADIYIFEZ-UHFFFAOYSA-N
XLogP10.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.85
LogP ≤ 510.62
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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Related Compounds

[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
CID 67206851
dimethyl-(1-prop-2-enoxynaphthalen-2-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 69305098
[2,7-bis(3-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(2-prop-2-enoxyphenyl)silane
CID 67207710
CID 87309109
CID 87309109
[2,7-bis(3-tert-butylphenyl)-9H-fluoren-9-yl]-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
CID 67206743
[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane
CID 67206626
(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
CID 69233636
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane
CID 69232322
CID 69230405
CID 69230405
9-[2-(9H-fluoren-9-yl)ethyl]-2,7-dinaphthalen-1-yl-9H-fluorene
CID 15494424
(2,7-dichloro-9H-fluoren-9-yl)-diethyl-(2-prop-2-enoxyphenyl)silane
CID 69233062
2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene
CID 163547179

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
The IUPAC name of [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane (CID 67207793) is [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane.
What is the SMILES notation for [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
The canonical SMILES for [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane is C=CCOc1c([Si](C)(C)C2c3cc(-c4ccccc4C)ccc3-c3ccc(-c4ccccc4C)cc32)ccc2ccccc12.
What is the InChIKey of [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
The InChIKey is DVJGAYADIYIFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38OSi/c1-6-25-43-41-35-18-12-9-15-30(35)21-24-40(41)44(4,5)42-38-26-31(33-16-10-7-13-28(33)2)19-22-36(38)37-23-20-32(27-39(37)42)34-17-11-8-14-29(34)3/h6-24,26-27,42H,1,25H2,2-5H3.
What are the key properties of [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane has a molecular weight of 586.85 g/mol, XLogP of 10.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane is sourced from PubChem (CID 67207793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).