2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane

C24H21BO2 — CID 142690056

IUPAC2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane
SMILESCc1ccc2ccccc2c1-c1c(C)cc(B2OCCO2)c2ccccc12
InChIInChI=1S/C24H21BO2/c1-16-11-12-18-7-3-4-8-19(18)23(16)24-17(2)15-22(25-26-13-14-27-25)20-9-5-6-10-21(20)24/h3-12,15H,13-14H2,1-2H3
InChIKeyRLZWSHGALZYLJB-UHFFFAOYSA-N
MW352.24 g/mol
LogP5.02
Rot. Bonds2

About 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane

2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane (PubChem CID 142690056) has the molecular formula C24H21BO2 and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane
PubChem CID142690056
Molecular FormulaC24H21BO2
Molecular Weight352.24 g/mol
Exact Mass352.16
IUPAC Name2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane
SMILESCc1ccc2ccccc2c1-c1c(C)cc(B2OCCO2)c2ccccc12
InChIInChI=1S/C24H21BO2/c1-16-11-12-18-7-3-4-8-19(18)23(16)24-17(2)15-22(25-26-13-14-27-25)20-9-5-6-10-21(20)24/h3-12,15H,13-14H2,1-2H3
InChIKeyRLZWSHGALZYLJB-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 55.02
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

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 11321807
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 160831518
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623
2-[6-(1,3,2-dioxaborolan-2-yl)-3,9-dinaphthalen-1-ylpyren-1-yl]-1,3,2-dioxaborolane
CID 140750878

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane (CID 142690056) is 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane is Cc1ccc2ccccc2c1-c1c(C)cc(B2OCCO2)c2ccccc12.
What is the InChIKey of 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane?
The InChIKey is RLZWSHGALZYLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BO2/c1-16-11-12-18-7-3-4-8-19(18)23(16)24-17(2)15-22(25-26-13-14-27-25)20-9-5-6-10-21(20)24/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane?
2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane has a molecular weight of 352.24 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 142690056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).