CID 89196743

C24H16BN3 — CID 89196743

IUPAC—
SMILES[B]c1cc(-c2cccnc2)cc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C24H16BN3/c25-20-14-18(17-7-6-12-26-16-17)13-19(15-20)24-27-22-10-4-5-11-23(22)28(24)21-8-2-1-3-9-21/h1-16H
InChIKeyYQLJWFYAQJVQPY-UHFFFAOYSA-N
MW357.23 g/mol
LogP4.55
Rot. Bonds3

About CID 89196743

CID 89196743 (PubChem CID 89196743) has the molecular formula C24H16BN3 and a molecular weight of 357.23 g/mol.

Molecular Properties

Compound NameCID 89196743
PubChem CID89196743
Molecular FormulaC24H16BN3
Molecular Weight357.23 g/mol
Exact Mass357.14
IUPAC Name—
SMILES[B]c1cc(-c2cccnc2)cc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C24H16BN3/c25-20-14-18(17-7-6-12-26-16-17)13-19(15-20)24-27-22-10-4-5-11-23(22)28(24)21-8-2-1-3-9-21/h1-16H
InChIKeyYQLJWFYAQJVQPY-UHFFFAOYSA-N
XLogP4.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
4-[3-(3,5-dipyridin-3-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]isoquinoline
CID 58479961
2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155179347
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155173902
2-[3-[4-phenyl-6-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-3-ylbenzimidazole
CID 155185764
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-2-pyridin-3-ylbenzimidazole
CID 155173875
1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole
CID 155186055
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
CID 158610453
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934

Frequently Asked Questions

What is the IUPAC name of CID 89196743?
The IUPAC name of CID 89196743 (CID 89196743) is not available.
What is the SMILES notation for CID 89196743?
The canonical SMILES for CID 89196743 is [B]c1cc(-c2cccnc2)cc(-c2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of CID 89196743?
The InChIKey is YQLJWFYAQJVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BN3/c25-20-14-18(17-7-6-12-26-16-17)13-19(15-20)24-27-22-10-4-5-11-23(22)28(24)21-8-2-1-3-9-21/h1-16H.
What are the key properties of CID 89196743?
CID 89196743 has a molecular weight of 357.23 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89196743 is sourced from PubChem (CID 89196743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).