7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine

C22H16BN — CID 58401873

IUPAC7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine
SMILESCc1ccc2c(c1)B(c1cccc3ccccc13)c1cccnc1-2
InChIInChI=1S/C22H16BN/c1-15-11-12-18-21(14-15)23(20-10-5-13-24-22(18)20)19-9-4-7-16-6-2-3-8-17(16)19/h2-14H,1H3
InChIKeyFUEAYBJLHFVVCE-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.04
Rot. Bonds1

About 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine

7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine (PubChem CID 58401873) has the molecular formula C22H16BN and a molecular weight of 305.19 g/mol. Its IUPAC name is 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine
PubChem CID58401873
Molecular FormulaC22H16BN
Molecular Weight305.19 g/mol
Exact Mass305.14
IUPAC Name7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine
SMILESCc1ccc2c(c1)B(c1cccc3ccccc13)c1cccnc1-2
InChIInChI=1S/C22H16BN/c1-15-11-12-18-21(14-15)23(20-10-5-13-24-22(18)20)19-9-4-7-16-6-2-3-8-17(16)19/h2-14H,1H3
InChIKeyFUEAYBJLHFVVCE-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine
CID 59661661
5-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-7-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine
CID 59661615
ethane;7-(3-methylphenyl)-6-(4-naphthalen-1-ylphenyl)quinoline
CID 142621816
2-(2-bromo-4-methylphenyl)-3-methylpyridine
CID 177492529
3-bromo-2-(2,4-dimethylphenyl)pyridine
CID 83920163
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine
CID 59459803
1,26-diaza-18-boraheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene
CID 90070042
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861
6-methylquinoline
CID 7059
N-(5-bromo-2-isoquinolin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 72724310
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine?
The IUPAC name of 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine (CID 58401873) is 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine.
What is the SMILES notation for 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine?
The canonical SMILES for 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine is Cc1ccc2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.
What is the InChIKey of 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine?
The InChIKey is FUEAYBJLHFVVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BN/c1-15-11-12-18-21(14-15)23(20-10-5-13-24-22(18)20)19-9-4-7-16-6-2-3-8-17(16)19/h2-14H,1H3.
What are the key properties of 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine?
7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine has a molecular weight of 305.19 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine is sourced from PubChem (CID 58401873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).