[9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane

C28H33BNO2P — CID 169262125

IUPAC[9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane
SMILESCP(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)nc3)ccc1-2
InChIInChI=1S/C28H33BNO2P/c1-26(2)23-15-18(9-12-21(23)22-13-11-20(33(7)8)16-24(22)26)19-10-14-25(30-17-19)29-31-27(3,4)28(5,6)32-29/h9-17H,1-8H3
InChIKeyWLWZPPVSCROEFG-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.72
Rot. Bonds3

About [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane

[9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane (PubChem CID 169262125) has the molecular formula C28H33BNO2P and a molecular weight of 457.36 g/mol. Its IUPAC name is [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane.

Molecular Properties

Compound Name[9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane
PubChem CID169262125
Molecular FormulaC28H33BNO2P
Molecular Weight457.36 g/mol
Exact Mass457.23
IUPAC Name[9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane
SMILESCP(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)nc3)ccc1-2
InChIInChI=1S/C28H33BNO2P/c1-26(2)23-15-18(9-12-21(23)22-13-11-20(33(7)8)16-24(22)26)19-10-14-25(30-17-19)29-31-27(3,4)28(5,6)32-29/h9-17H,1-8H3
InChIKeyWLWZPPVSCROEFG-UHFFFAOYSA-N
XLogP5.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane?
The IUPAC name of [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane (CID 169262125) is [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane.
What is the SMILES notation for [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane?
The canonical SMILES for [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane is CP(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)nc3)ccc1-2.
What is the InChIKey of [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane?
The InChIKey is WLWZPPVSCROEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33BNO2P/c1-26(2)23-15-18(9-12-21(23)22-13-11-20(33(7)8)16-24(22)26)19-10-14-25(30-17-19)29-31-27(3,4)28(5,6)32-29/h9-17H,1-8H3.
What are the key properties of [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane?
[9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane has a molecular weight of 457.36 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-dimethyl-7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]fluoren-2-yl]-dimethylphosphane is sourced from PubChem (CID 169262125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).