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

C34H48B2O4 — CID 23545266

IUPAC4,4,5,5-tetramethyl-2-[9-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
SMILESCCCCCCCCC=C1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C34H48B2O4/c1-10-11-12-13-14-15-16-17-26-29-22-24(35-37-31(2,3)32(4,5)38-35)18-20-27(29)28-21-19-25(23-30(26)28)36-39-33(6,7)34(8,9)40-36/h17-23H,10-16H2,1-9H3
InChIKeyHBDZFDJMWKABOO-UHFFFAOYSA-N
MW542.38 g/mol
LogP7.45
Rot. Bonds9

About 4,4,5,5-tetramethyl-2-[9-nonylidene-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-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane (PubChem CID 23545266) has the molecular formula C34H48B2O4 and a molecular weight of 542.38 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[9-nonylidene-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-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
PubChem CID23545266
Molecular FormulaC34H48B2O4
Molecular Weight542.38 g/mol
Exact Mass542.37
IUPAC Name4,4,5,5-tetramethyl-2-[9-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
SMILESCCCCCCCCC=C1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C34H48B2O4/c1-10-11-12-13-14-15-16-17-26-29-22-24(35-37-31(2,3)32(4,5)38-35)18-20-27(29)28-21-19-25(23-30(26)28)36-39-33(6,7)34(8,9)40-36/h17-23H,10-16H2,1-9H3
InChIKeyHBDZFDJMWKABOO-UHFFFAOYSA-N
XLogP7.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.38
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[9-nonylidene-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-nonylidene-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-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane (CID 23545266) is 4,4,5,5-tetramethyl-2-[9-nonylidene-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-nonylidene-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-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane is CCCCCCCCC=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-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane?
The InChIKey is HBDZFDJMWKABOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48B2O4/c1-10-11-12-13-14-15-16-17-26-29-22-24(35-37-31(2,3)32(4,5)38-35)18-20-27(29)28-21-19-25(23-30(26)28)36-39-33(6,7)34(8,9)40-36/h17-23H,10-16H2,1-9H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[9-nonylidene-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-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane has a molecular weight of 542.38 g/mol, XLogP of 7.45, 9 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-nonylidene-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 23545266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).