[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane

C39H38OSi — CID 67207908

IUPAC[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1c(C)cccc1[Si](C)(C)C1c2cc(-c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(C)cc3)cc21
InChIInChI=1S/C39H38OSi/c1-7-23-40-38-28(4)9-8-10-37(38)41(5,6)39-35-24-31(29-15-11-26(2)12-16-29)19-21-33(35)34-22-20-32(25-36(34)39)30-17-13-27(3)14-18-30/h7-22,24-25,39H,1,23H2,2-6H3
InChIKeyPFLYBLYKVUAEFD-UHFFFAOYSA-N
MW550.82 g/mol
LogP9.78
Rot. Bonds7

About [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane

[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane (PubChem CID 67207908) has the molecular formula C39H38OSi and a molecular weight of 550.82 g/mol. Its IUPAC name is [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane.

Molecular Properties

Compound Name[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
PubChem CID67207908
Molecular FormulaC39H38OSi
Molecular Weight550.82 g/mol
Exact Mass550.27
IUPAC Name[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
SMILESC=CCOc1c(C)cccc1[Si](C)(C)C1c2cc(-c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(C)cc3)cc21
InChIInChI=1S/C39H38OSi/c1-7-23-40-38-28(4)9-8-10-37(38)41(5,6)39-35-24-31(29-15-11-26(2)12-16-29)19-21-33(35)34-22-20-32(25-36(34)39)30-17-13-27(3)14-18-30/h7-22,24-25,39H,1,23H2,2-6H3
InChIKeyPFLYBLYKVUAEFD-UHFFFAOYSA-N
XLogP9.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.82
LogP ≤ 59.78
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

tFPO-CF2-2HitFT
CID 134241696
tFPO-CF2-4HitFT
CID 134241697
tFPO-CF2-3HitFT
CID 134241699
9-Fluoren-9-ylidenexanthene
CID 12490931
9-(2,7-Dimethylfluoren-9-ylidene)xanthene
CID 90710576
2-(2-Methoxyphenyl)-9h-fluorene
CID 86068637
Spiro[benzo[c]fluorene-7,9'-xanthene]
CID 118521028
2-(Pyren-1-yl)spiro[fluorene-9,9'-xanthene]
CID 122382597
Bis-(4-octyloxyphenyl)fluorene
CID 129860614
2-Phenylspiro[indeno[2,1-b]fluoranthene-9,9'-xanthene]
CID 133053903
Spiro[benzo[a]fluorene-11,9'-xanthene]
CID 135029450
1H-Form-II
CID 139146348

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
The IUPAC name of [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane (CID 67207908) is [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane.
What is the SMILES notation for [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
The canonical SMILES for [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane is C=CCOc1c(C)cccc1[Si](C)(C)C1c2cc(-c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(C)cc3)cc21.
What is the InChIKey of [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
The InChIKey is PFLYBLYKVUAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38OSi/c1-7-23-40-38-28(4)9-8-10-37(38)41(5,6)39-35-24-31(29-15-11-26(2)12-16-29)19-21-33(35)34-22-20-32(25-36(34)39)30-17-13-27(3)14-18-30/h7-22,24-25,39H,1,23H2,2-6H3.
What are the key properties of [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane?
[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane has a molecular weight of 550.82 g/mol, XLogP of 9.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-dimethyl-(3-methyl-2-prop-2-enoxyphenyl)silane is sourced from PubChem (CID 67207908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).