(2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane

C34H44Si — CID 174928576

IUPAC(2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane
SMILESC=c1c(C(C)(C)C)c(-c2ccccc2)c([Si](CC)(CC)CC)c2c1=Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C34H44Si/c1-11-35(12-2,13-3)32-29(24-17-15-14-16-18-24)31(34(8,9)10)23(4)28-22-25-21-26(33(5,6)7)19-20-27(25)30(28)32/h14-22H,4,11-13H2,1-3,5-10H3
InChIKeyKHYYSTAPRSXBBB-UHFFFAOYSA-N
MW480.81 g/mol
LogP7.88
Rot. Bonds5

About (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane

(2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane (PubChem CID 174928576) has the molecular formula C34H44Si and a molecular weight of 480.81 g/mol. Its IUPAC name is (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane.

Molecular Properties

Compound Name(2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane
PubChem CID174928576
Molecular FormulaC34H44Si
Molecular Weight480.81 g/mol
Exact Mass480.32
IUPAC Name(2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane
SMILESC=c1c(C(C)(C)C)c(-c2ccccc2)c([Si](CC)(CC)CC)c2c1=Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C34H44Si/c1-11-35(12-2,13-3)32-29(24-17-15-14-16-18-24)31(34(8,9)10)23(4)28-22-25-21-26(33(5,6)7)19-20-27(25)30(28)32/h14-22H,4,11-13H2,1-3,5-10H3
InChIKeyKHYYSTAPRSXBBB-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane?
The IUPAC name of (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane (CID 174928576) is (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane.
What is the SMILES notation for (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane?
The canonical SMILES for (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane is C=c1c(C(C)(C)C)c(-c2ccccc2)c([Si](CC)(CC)CC)c2c1=Cc1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane?
The InChIKey is KHYYSTAPRSXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44Si/c1-11-35(12-2,13-3)32-29(24-17-15-14-16-18-24)31(34(8,9)10)23(4)28-22-25-21-26(33(5,6)7)19-20-27(25)30(28)32/h14-22H,4,11-13H2,1-3,5-10H3.
What are the key properties of (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane?
(2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane has a molecular weight of 480.81 g/mol, XLogP of 7.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-1-methylidene-3-phenylfluoren-4-yl)-triethylsilane is sourced from PubChem (CID 174928576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).