10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine

C24H24BNO2Se — CID 172808799

IUPAC10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine
SMILESCC1(C)OB(c2ccc(N3c4ccccc4[Se]c4ccccc43)cc2)OC1(C)C
InChIInChI=1S/C24H24BNO2Se/c1-23(2)24(3,4)28-25(27-23)17-13-15-18(16-14-17)26-19-9-5-7-11-21(19)29-22-12-8-6-10-20(22)26/h5-16H,1-4H3
InChIKeyRWOFGUOACCLOOY-UHFFFAOYSA-N
MW448.23 g/mol
LogP3.42
Rot. Bonds2

About 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine

10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine (PubChem CID 172808799) has the molecular formula C24H24BNO2Se and a molecular weight of 448.23 g/mol. Its IUPAC name is 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine.

Molecular Properties

Compound Name10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine
PubChem CID172808799
Molecular FormulaC24H24BNO2Se
Molecular Weight448.23 g/mol
Exact Mass449.11
IUPAC Name10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine
SMILESCC1(C)OB(c2ccc(N3c4ccccc4[Se]c4ccccc43)cc2)OC1(C)C
InChIInChI=1S/C24H24BNO2Se/c1-23(2)24(3,4)28-25(27-23)17-13-15-18(16-14-17)26-19-9-5-7-11-21(19)29-22-12-8-6-10-20(22)26/h5-16H,1-4H3
InChIKeyRWOFGUOACCLOOY-UHFFFAOYSA-N
XLogP3.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
CID 71007069
9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
CID 71007072
10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 142744128
10-phenyl-3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[acridine-9,11'-benzo[b]fluorene]
CID 142293560
10-(4-methoxyphenyl)-3,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 59302117
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[acridine-9,11'-benzo[b]fluorene]
CID 156897210
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 4961250
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,3-dihydroindole
CID 154074412
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171832535
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
CID 57416880

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine?
The IUPAC name of 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine (CID 172808799) is 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine.
What is the SMILES notation for 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine?
The canonical SMILES for 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine is CC1(C)OB(c2ccc(N3c4ccccc4[Se]c4ccccc43)cc2)OC1(C)C.
What is the InChIKey of 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine?
The InChIKey is RWOFGUOACCLOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2Se/c1-23(2)24(3,4)28-25(27-23)17-13-15-18(16-14-17)26-19-9-5-7-11-21(19)29-22-12-8-6-10-20(22)26/h5-16H,1-4H3.
What are the key properties of 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine?
10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine has a molecular weight of 448.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine is sourced from PubChem (CID 172808799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).