2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

C20H21BN2O2 — CID 155754244

IUPAC2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCC1(C)OB(c2nc3ccccc3nc2-c2ccccc2)OC1(C)C
InChIInChI=1S/C20H21BN2O2/c1-19(2)20(3,4)25-21(24-19)18-17(14-10-6-5-7-11-14)22-15-12-8-9-13-16(15)23-18/h5-13H,1-4H3
InChIKeyVJGKCHOGOSSWEW-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.60
Rot. Bonds2

About 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (PubChem CID 155754244) has the molecular formula C20H21BN2O2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
PubChem CID155754244
Molecular FormulaC20H21BN2O2
Molecular Weight332.21 g/mol
Exact Mass332.17
IUPAC Name2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCC1(C)OB(c2nc3ccccc3nc2-c2ccccc2)OC1(C)C
InChIInChI=1S/C20H21BN2O2/c1-19(2)20(3,4)25-21(24-19)18-17(14-10-6-5-7-11-14)22-15-12-8-9-13-16(15)23-18/h5-13H,1-4H3
InChIKeyVJGKCHOGOSSWEW-UHFFFAOYSA-N
XLogP3.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]quinazoline
CID 148867825
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-triphenylen-2-ylquinoline
CID 142622035
4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,6-diphenylpyridine
CID 70847694
2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 140796956
1,3,5-triphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 101449994
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole
CID 161180077
2-phenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 164779820
5-methyl-2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 171442523
2-(4-bromonaphthalen-1-yl)-4-phenylquinazoline;1,4-dibromonaphthalene;4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 159317447
4-phenyl-2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]quinazoline
CID 140838872
2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161203620

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The IUPAC name of 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (CID 155754244) is 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The canonical SMILES for 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is CC1(C)OB(c2nc3ccccc3nc2-c2ccccc2)OC1(C)C.
What is the InChIKey of 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The InChIKey is VJGKCHOGOSSWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BN2O2/c1-19(2)20(3,4)25-21(24-19)18-17(14-10-6-5-7-11-14)22-15-12-8-9-13-16(15)23-18/h5-13H,1-4H3.
What are the key properties of 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline has a molecular weight of 332.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is sourced from PubChem (CID 155754244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).