CID 67466440

C18H15BNO2 — CID 67466440

IUPAC—
SMILESO[B]O.c1ccc(N(c2ccccc2)c2ccc3cc2-3)cc1
InChIInChI=1S/C18H13N.BH2O2/c1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)18-12-11-14-13-17(14)18;2-1-3/h1-13H;2-3H
InChIKeyOKJMRFJEWTWFBT-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.64
Rot. Bonds3

About CID 67466440

CID 67466440 (PubChem CID 67466440) has the molecular formula C18H15BNO2 and a molecular weight of 288.13 g/mol.

Molecular Properties

Compound NameCID 67466440
PubChem CID67466440
Molecular FormulaC18H15BNO2
Molecular Weight288.13 g/mol
Exact Mass288.12
IUPAC Name—
SMILESO[B]O.c1ccc(N(c2ccccc2)c2ccc3cc2-3)cc1
InChIInChI=1S/C18H13N.BH2O2/c1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)18-12-11-14-13-17(14)18;2-1-3/h1-13H;2-3H
InChIKeyOKJMRFJEWTWFBT-UHFFFAOYSA-N
XLogP3.64
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
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4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
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2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
CID 170776711
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N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
CID 174067093
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N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of CID 67466440?
The IUPAC name of CID 67466440 (CID 67466440) is not available.
What is the SMILES notation for CID 67466440?
The canonical SMILES for CID 67466440 is O[B]O.c1ccc(N(c2ccccc2)c2ccc3cc2-3)cc1.
What is the InChIKey of CID 67466440?
The InChIKey is OKJMRFJEWTWFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N.BH2O2/c1-3-7-15(8-4-1)19(16-9-5-2-6-10-16)18-12-11-14-13-17(14)18;2-1-3/h1-13H;2-3H.
What are the key properties of CID 67466440?
CID 67466440 has a molecular weight of 288.13 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67466440 is sourced from PubChem (CID 67466440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).