[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane

C49H58OSi — CID 67206626

IUPAC[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1c2cc(-c3ccc(C(C)CC)cc3)ccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21
InChIInChI=1S/C49H58OSi/c1-12-27-50-47-45(49(7,8)9)28-32(4)29-46(47)51(10,11)48-43-30-39(37-19-15-35(16-20-37)33(5)13-2)23-25-41(43)42-26-24-40(31-44(42)48)38-21-17-36(18-22-38)34(6)14-3/h12,15-26,28-31,33-34,48H,1,13-14,27H2,2-11H3
InChIKeyMQBVCQQDPGXWLZ-UHFFFAOYSA-N
MW691.09 g/mol
LogP13.49
Rot. Bonds11

About [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane

[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane (PubChem CID 67206626) has the molecular formula C49H58OSi and a molecular weight of 691.09 g/mol. Its IUPAC name is [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane.

Molecular Properties

Compound Name[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane
PubChem CID67206626
Molecular FormulaC49H58OSi
Molecular Weight691.09 g/mol
Exact Mass690.43
IUPAC Name[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1c2cc(-c3ccc(C(C)CC)cc3)ccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21
InChIInChI=1S/C49H58OSi/c1-12-27-50-47-45(49(7,8)9)28-32(4)29-46(47)51(10,11)48-43-30-39(37-19-15-35(16-20-37)33(5)13-2)23-25-41(43)42-26-24-40(31-44(42)48)38-21-17-36(18-22-38)34(6)14-3/h12,15-26,28-31,33-34,48H,1,13-14,27H2,2-11H3
InChIKeyMQBVCQQDPGXWLZ-UHFFFAOYSA-N
XLogP13.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.09
LogP ≤ 513.49
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(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane
CID 67206606
[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-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
CID 67207908
[2,7-bis(2-butylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methoxy-2-prop-2-enoxyphenyl)-dimethylsilane
CID 67207081
[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
CID 67206851
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane
CID 69230383
CID 87309109
CID 87309109
[2,7-bis(2-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
CID 67207793
(3-tert-butyl-2-prop-2-enoxyphenyl)-(3,6-ditert-butyl-9H-fluoren-9-yl)-diethylsilane
CID 69232644
(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
CID 69233636
1-tert-butyl-5-methyl-2-prop-2-enoxy-3-prop-2-enylbenzene
CID 50888521
CID 69229628
CID 69229628

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The IUPAC name of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane (CID 67206626) is [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane.
What is the SMILES notation for [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The canonical SMILES for [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane is C=CCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1c2cc(-c3ccc(C(C)CC)cc3)ccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.
What is the InChIKey of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The InChIKey is MQBVCQQDPGXWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58OSi/c1-12-27-50-47-45(49(7,8)9)28-32(4)29-46(47)51(10,11)48-43-30-39(37-19-15-35(16-20-37)33(5)13-2)23-25-41(43)42-26-24-40(31-44(42)48)38-21-17-36(18-22-38)34(6)14-3/h12,15-26,28-31,33-34,48H,1,13-14,27H2,2-11H3.
What are the key properties of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane?
[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane has a molecular weight of 691.09 g/mol, XLogP of 13.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-dimethylsilane is sourced from PubChem (CID 67206626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).