CID 13027417

C24H20BN2 — CID 13027417

IUPAC—
SMILES[B](N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BN2/c1-5-13-21(14-6-1)26(22-15-7-2-8-16-22)25-27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyBHVIDGFTMBKKSO-UHFFFAOYSA-N
MW347.25 g/mol
LogP6.20
Rot. Bonds6

About CID 13027417

CID 13027417 (PubChem CID 13027417) has the molecular formula C24H20BN2 and a molecular weight of 347.25 g/mol.

Molecular Properties

Compound NameCID 13027417
PubChem CID13027417
Molecular FormulaC24H20BN2
Molecular Weight347.25 g/mol
Exact Mass347.17
IUPAC Name—
SMILES[B](N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BN2/c1-5-13-21(14-6-1)26(22-15-7-2-8-16-22)25-27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyBHVIDGFTMBKKSO-UHFFFAOYSA-N
XLogP6.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 56.20
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

N,N-diphenylaniline;silane
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N,N-dimethylaniline
CID 70392672
acetylene;N,N-diphenylaniline
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N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-dimethylaniline;osmium(4+)
CID 172845967
(N-(2,2-diphenylhydrazinyl)anilino)benzene
CID 91743548
CID 69241188
CID 69241188
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400

Frequently Asked Questions

What is the IUPAC name of CID 13027417?
The IUPAC name of CID 13027417 (CID 13027417) is not available.
What is the SMILES notation for CID 13027417?
The canonical SMILES for CID 13027417 is [B](N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 13027417?
The InChIKey is BHVIDGFTMBKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BN2/c1-5-13-21(14-6-1)26(22-15-7-2-8-16-22)25-27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of CID 13027417?
CID 13027417 has a molecular weight of 347.25 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13027417 is sourced from PubChem (CID 13027417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).