CID 58036455

C24H20B2N6 — CID 58036455

IUPAC—
SMILES[B]1N(CCN2[B]N(c3ccccn3)c3ccccc32)c2ccccc2N1c1ccccn1
InChIInChI=1S/C24H20B2N6/c1-3-11-21-19(9-1)29(25-31(21)23-13-5-7-15-27-23)17-18-30-20-10-2-4-12-22(20)32(26-30)24-14-6-8-16-28-24/h1-16H,17-18H2
InChIKeyCPEUXIZETWOMPW-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.16
Rot. Bonds5

About CID 58036455

CID 58036455 (PubChem CID 58036455) has the molecular formula C24H20B2N6 and a molecular weight of 414.09 g/mol.

Molecular Properties

Compound NameCID 58036455
PubChem CID58036455
Molecular FormulaC24H20B2N6
Molecular Weight414.09 g/mol
Exact Mass414.19
IUPAC Name—
SMILES[B]1N(CCN2[B]N(c3ccccn3)c3ccccc32)c2ccccc2N1c1ccccn1
InChIInChI=1S/C24H20B2N6/c1-3-11-21-19(9-1)29(25-31(21)23-13-5-7-15-27-23)17-18-30-20-10-2-4-12-22(20)32(26-30)24-14-6-8-16-28-24/h1-16H,17-18H2
InChIKeyCPEUXIZETWOMPW-UHFFFAOYSA-N
XLogP4.16
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 58036641
CID 58036641
CID 58036640
CID 58036640
CID 58036643
CID 58036643
CID 58036374
CID 58036374
2-pyridin-2-yl-1,2-thiazol-3-one
CID 44564009
11-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 132545002
2-methyl-3-pyridin-2-yl-1H-benzotriazole
CID 135295489
1-methyl-3-pyridin-2-yl-2H-benzimidazol-2-ol
CID 155929609
1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline
CID 175886353
2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 131042110
CID 58036537
CID 58036537
2-bromo-1-phenyl-3-pyridin-2-yl-1,3,2-benzodiazaborole
CID 58036535

Frequently Asked Questions

What is the IUPAC name of CID 58036455?
The IUPAC name of CID 58036455 (CID 58036455) is not available.
What is the SMILES notation for CID 58036455?
The canonical SMILES for CID 58036455 is [B]1N(CCN2[B]N(c3ccccn3)c3ccccc32)c2ccccc2N1c1ccccn1.
What is the InChIKey of CID 58036455?
The InChIKey is CPEUXIZETWOMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B2N6/c1-3-11-21-19(9-1)29(25-31(21)23-13-5-7-15-27-23)17-18-30-20-10-2-4-12-22(20)32(26-30)24-14-6-8-16-28-24/h1-16H,17-18H2.
What are the key properties of CID 58036455?
CID 58036455 has a molecular weight of 414.09 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58036455 is sourced from PubChem (CID 58036455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).