CID 89461197

C24H19BNO2 — CID 89461197

IUPAC—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19BNO2/c27-25-28-24-17-15-23(16-18-24)26(21-9-5-2-6-10-21)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,27H
InChIKeyQRORUFQWNHSZBQ-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.73
Rot. Bonds6

About CID 89461197

CID 89461197 (PubChem CID 89461197) has the molecular formula C24H19BNO2 and a molecular weight of 364.23 g/mol.

Molecular Properties

Compound NameCID 89461197
PubChem CID89461197
Molecular FormulaC24H19BNO2
Molecular Weight364.23 g/mol
Exact Mass364.15
IUPAC Name—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19BNO2/c27-25-28-24-17-15-23(16-18-24)26(21-9-5-2-6-10-21)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,27H
InChIKeyQRORUFQWNHSZBQ-UHFFFAOYSA-N
XLogP5.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 158332419
CID 158332419
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
CID 170776711
CID 170776711
CID 170776887
CID 170776887
CID 123553635
CID 123553635

Frequently Asked Questions

What is the IUPAC name of CID 89461197?
The IUPAC name of CID 89461197 (CID 89461197) is not available.
What is the SMILES notation for CID 89461197?
The canonical SMILES for CID 89461197 is O[B]Oc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of CID 89461197?
The InChIKey is QRORUFQWNHSZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BNO2/c27-25-28-24-17-15-23(16-18-24)26(21-9-5-2-6-10-21)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,27H.
What are the key properties of CID 89461197?
CID 89461197 has a molecular weight of 364.23 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89461197 is sourced from PubChem (CID 89461197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).