4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

C23H27BO2 — CID 154711985

IUPAC4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCc1ccc2c(c1)CCC(B1OC(C)(C)C(C)(C)O1)=C2c1ccccc1
InChIInChI=1S/C23H27BO2/c1-16-11-13-19-18(15-16)12-14-20(21(19)17-9-7-6-8-10-17)24-25-22(2,3)23(4,5)26-24/h6-11,13,15H,12,14H2,1-5H3
InChIKeyDLABVIUJLLFHFC-UHFFFAOYSA-N
MW346.28 g/mol
LogP5.37
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 154711985) has the molecular formula C23H27BO2 and a molecular weight of 346.28 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
PubChem CID154711985
Molecular FormulaC23H27BO2
Molecular Weight346.28 g/mol
Exact Mass346.21
IUPAC Name4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCc1ccc2c(c1)CCC(B1OC(C)(C)C(C)(C)O1)=C2c1ccccc1
InChIInChI=1S/C23H27BO2/c1-16-11-13-19-18(15-16)12-14-20(21(19)17-9-7-6-8-10-17)24-25-22(2,3)23(4,5)26-24/h6-11,13,15H,12,14H2,1-5H3
InChIKeyDLABVIUJLLFHFC-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.28
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydronaphthalen-1-yl]benzonitrile
CID 122381157
6-methyl-2,3-diphenyl-1H-indene
CID 102161513
7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene
CID 129122010
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
2-[fluoro-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114607
2,11-bis(3,5-diphenylphenyl)triphenylene;2,11-dimethyltriphenylene;2-(3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157219172
4,4,5,5-tetramethyl-2-(5-methyl-2-phenylcyclohexa-1,4-dien-1-yl)-1,3,2-dioxaborolane
CID 101255930
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
2-[3,5-bis(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123189589

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (CID 154711985) is 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is Cc1ccc2c(c1)CCC(B1OC(C)(C)C(C)(C)O1)=C2c1ccccc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is DLABVIUJLLFHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BO2/c1-16-11-13-19-18(15-16)12-14-20(21(19)17-9-7-6-8-10-17)24-25-22(2,3)23(4,5)26-24/h6-11,13,15H,12,14H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 346.28 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(6-methyl-1-phenyl-3,4-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 154711985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).