CID 123965856

C26H28BN2O2 — CID 123965856

IUPAC—
SMILESCC(C)C(O[B]c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)C(C)(C)O
InChIInChI=1S/C26H28BN2O2/c1-18(2)24(26(3,4)30)31-27-20-16-14-19(15-17-20)25-28-22-12-8-9-13-23(22)29(25)21-10-6-5-7-11-21/h5-18,24,30H,1-4H3
InChIKeyFKFLUXHHNYZKSP-UHFFFAOYSA-N
MW411.33 g/mol
LogP4.75
Rot. Bonds7

About CID 123965856

CID 123965856 (PubChem CID 123965856) has the molecular formula C26H28BN2O2 and a molecular weight of 411.33 g/mol.

Molecular Properties

Compound NameCID 123965856
PubChem CID123965856
Molecular FormulaC26H28BN2O2
Molecular Weight411.33 g/mol
Exact Mass411.22
IUPAC Name—
SMILESCC(C)C(O[B]c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)C(C)(C)O
InChIInChI=1S/C26H28BN2O2/c1-18(2)24(26(3,4)30)31-27-20-16-14-19(15-17-20)25-28-22-12-8-9-13-23(22)29(25)21-10-6-5-7-11-21/h5-18,24,30H,1-4H3
InChIKeyFKFLUXHHNYZKSP-UHFFFAOYSA-N
XLogP4.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
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CID 143906188
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CID 141099436
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole
CID 130453259
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58489476
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
2-[4-(1-phenylbenzimidazol-2-yl)phenyl]ethanol
CID 118619438

Frequently Asked Questions

What is the IUPAC name of CID 123965856?
The IUPAC name of CID 123965856 (CID 123965856) is not available.
What is the SMILES notation for CID 123965856?
The canonical SMILES for CID 123965856 is CC(C)C(O[B]c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)C(C)(C)O.
What is the InChIKey of CID 123965856?
The InChIKey is FKFLUXHHNYZKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BN2O2/c1-18(2)24(26(3,4)30)31-27-20-16-14-19(15-17-20)25-28-22-12-8-9-13-23(22)29(25)21-10-6-5-7-11-21/h5-18,24,30H,1-4H3.
What are the key properties of CID 123965856?
CID 123965856 has a molecular weight of 411.33 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123965856 is sourced from PubChem (CID 123965856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).