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

C48H50OSi — CID 67206851

IUPAC[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
SMILESC=CCOc1c([Si](C)(C)C2c3cc(-c4ccccc4C(C)CC)ccc3-c3ccc(-c4ccccc4C(C)CC)cc32)ccc2ccccc12
InChIInChI=1S/C48H50OSi/c1-8-29-49-47-41-22-12-11-17-34(41)25-28-46(47)50(6,7)48-44-30-35(39-20-15-13-18-37(39)32(4)9-2)23-26-42(44)43-27-24-36(31-45(43)48)40-21-16-14-19-38(40)33(5)10-3/h8,11-28,30-33,48H,1,9-10,29H2,2-7H3
InChIKeySFWXGUFUUZCMCB-UHFFFAOYSA-N
MW671.01 g/mol
LogP13.03
Rot. Bonds11

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

[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane (PubChem CID 67206851) has the molecular formula C48H50OSi and a molecular weight of 671.01 g/mol. Its IUPAC name is [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane.

Molecular Properties

Compound Name[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
PubChem CID67206851
Molecular FormulaC48H50OSi
Molecular Weight671.01 g/mol
Exact Mass670.36
IUPAC Name[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane
SMILESC=CCOc1c([Si](C)(C)C2c3cc(-c4ccccc4C(C)CC)ccc3-c3ccc(-c4ccccc4C(C)CC)cc32)ccc2ccccc12
InChIInChI=1S/C48H50OSi/c1-8-29-49-47-41-22-12-11-17-34(41)25-28-46(47)50(6,7)48-44-30-35(39-20-15-13-18-37(39)32(4)9-2)23-26-42(44)43-27-24-36(31-45(43)48)40-21-16-14-19-38(40)33(5)10-3/h8,11-28,30-33,48H,1,9-10,29H2,2-7H3
InChIKeySFWXGUFUUZCMCB-UHFFFAOYSA-N
XLogP13.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.01
LogP ≤ 513.03
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(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
The IUPAC name of [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane (CID 67206851) is [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane.
What is the SMILES notation for [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
The canonical SMILES for [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane is C=CCOc1c([Si](C)(C)C2c3cc(-c4ccccc4C(C)CC)ccc3-c3ccc(-c4ccccc4C(C)CC)cc32)ccc2ccccc12.
What is the InChIKey of [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
The InChIKey is SFWXGUFUUZCMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50OSi/c1-8-29-49-47-41-22-12-11-17-34(41)25-28-46(47)50(6,7)48-44-30-35(39-20-15-13-18-37(39)32(4)9-2)23-26-42(44)43-27-24-36(31-45(43)48)40-21-16-14-19-38(40)33(5)10-3/h8,11-28,30-33,48H,1,9-10,29H2,2-7H3.
What are the key properties of [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane?
[2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane has a molecular weight of 671.01 g/mol, XLogP of 13.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(2-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(1-prop-2-enoxynaphthalen-2-yl)silane is sourced from PubChem (CID 67206851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).