CID 174067093

C24H18BN — CID 174067093

IUPAC—
SMILES[B]c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C24H18BN/c25-20-16-17-24(23(18-20)19-10-4-1-5-11-19)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKeyJTNPRYDATBHLQV-UHFFFAOYSA-N
MW331.23 g/mol
LogP5.62
Rot. Bonds4

About CID 174067093

CID 174067093 (PubChem CID 174067093) has the molecular formula C24H18BN and a molecular weight of 331.23 g/mol.

Molecular Properties

Compound NameCID 174067093
PubChem CID174067093
Molecular FormulaC24H18BN
Molecular Weight331.23 g/mol
Exact Mass331.15
IUPAC Name—
SMILES[B]c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C24H18BN/c25-20-16-17-24(23(18-20)19-10-4-1-5-11-19)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKeyJTNPRYDATBHLQV-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.23
LogP ≤ 55.62
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

N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
CID 67466440
CID 67466440
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364

Frequently Asked Questions

What is the IUPAC name of CID 174067093?
The IUPAC name of CID 174067093 (CID 174067093) is not available.
What is the SMILES notation for CID 174067093?
The canonical SMILES for CID 174067093 is [B]c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of CID 174067093?
The InChIKey is JTNPRYDATBHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BN/c25-20-16-17-24(23(18-20)19-10-4-1-5-11-19)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H.
What are the key properties of CID 174067093?
CID 174067093 has a molecular weight of 331.23 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174067093 is sourced from PubChem (CID 174067093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).