4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane

C28H36B2O4 — CID 23545264

IUPAC4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
SMILESCC(C)=C1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C28H36B2O4/c1-17(2)24-22-15-18(29-31-25(3,4)26(5,6)32-29)11-13-20(22)21-14-12-19(16-23(21)24)30-33-27(7,8)28(9,10)34-30/h11-16H,1-10H3
InChIKeyAPYSZHPOVMDOTB-UHFFFAOYSA-N
MW458.22 g/mol
LogP5.11
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane (PubChem CID 23545264) has the molecular formula C28H36B2O4 and a molecular weight of 458.22 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
PubChem CID23545264
Molecular FormulaC28H36B2O4
Molecular Weight458.22 g/mol
Exact Mass458.28
IUPAC Name4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
SMILESCC(C)=C1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C28H36B2O4/c1-17(2)24-22-15-18(29-31-25(3,4)26(5,6)32-29)11-13-20(22)21-14-12-19(16-23(21)24)30-33-27(7,8)28(9,10)34-30/h11-16H,1-10H3
InChIKeyAPYSZHPOVMDOTB-UHFFFAOYSA-N
XLogP5.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.22
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane (CID 23545264) is 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane is CC(C)=C1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane?
The InChIKey is APYSZHPOVMDOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36B2O4/c1-17(2)24-22-15-18(29-31-25(3,4)26(5,6)32-29)11-13-20(22)21-14-12-19(16-23(21)24)30-33-27(7,8)28(9,10)34-30/h11-16H,1-10H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane has a molecular weight of 458.22 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[9-propan-2-ylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 23545264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).