7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine

C33H22BN — CID 59661661

IUPAC7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine
SMILESc1ccc(-c2ccccc2B2c3cc(-c4cccc5ccccc45)ccc3-c3ncccc32)cc1
InChIInChI=1S/C33H22BN/c1-2-10-24(11-3-1)28-15-6-7-17-30(28)34-31-18-9-21-35-33(31)29-20-19-25(22-32(29)34)27-16-8-13-23-12-4-5-14-26(23)27/h1-22H
InChIKeyZYYKAQMPGLSJGH-UHFFFAOYSA-N
MW443.36 g/mol
LogP6.07
Rot. Bonds3

About 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine

7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine (PubChem CID 59661661) has the molecular formula C33H22BN and a molecular weight of 443.36 g/mol. Its IUPAC name is 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine
PubChem CID59661661
Molecular FormulaC33H22BN
Molecular Weight443.36 g/mol
Exact Mass443.18
IUPAC Name7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine
SMILESc1ccc(-c2ccccc2B2c3cc(-c4cccc5ccccc45)ccc3-c3ncccc32)cc1
InChIInChI=1S/C33H22BN/c1-2-10-24(11-3-1)28-15-6-7-17-30(28)34-31-18-9-21-35-33(31)29-20-19-25(22-32(29)34)27-16-8-13-23-12-4-5-14-26(23)27/h1-22H
InChIKeyZYYKAQMPGLSJGH-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.36
LogP ≤ 56.07
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-methyl-5-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine
CID 58401873
5-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-7-naphthalen-1-yl-[1]benzoborolo[3,2-b]pyridine
CID 59661615
5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine
CID 59459803
2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine
CID 163947785
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583
2-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477455
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
5-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenylbenzo[g]quinoline
CID 59183100
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;5-[4-[3-[3-[4-phenyl-6-[3-[3-(4-quinolin-5-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinoline
CID 161207659

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
The IUPAC name of 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine (CID 59661661) is 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine.
What is the SMILES notation for 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
The canonical SMILES for 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine is c1ccc(-c2ccccc2B2c3cc(-c4cccc5ccccc45)ccc3-c3ncccc32)cc1.
What is the InChIKey of 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
The InChIKey is ZYYKAQMPGLSJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22BN/c1-2-10-24(11-3-1)28-15-6-7-17-30(28)34-31-18-9-21-35-33(31)29-20-19-25(22-32(29)34)27-16-8-13-23-12-4-5-14-26(23)27/h1-22H.
What are the key properties of 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine has a molecular weight of 443.36 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine is sourced from PubChem (CID 59661661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).