CID 173148040

C16H27BI3N8 — CID 173148040

IUPAC—
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.I.I.I.[B]
InChIInChI=1S/4C4H6N2.B.3HI/c4*1-6-3-2-5-4-6;;;;/h4*2-4H,1H3;;3*1H
InChIKeyGLWWEPYKYZIAAH-UHFFFAOYSA-N
MW722.97 g/mol
LogP3.15
Rot. Bonds

About CID 173148040

CID 173148040 (PubChem CID 173148040) has the molecular formula C16H27BI3N8 and a molecular weight of 722.97 g/mol.

Molecular Properties

Compound NameCID 173148040
PubChem CID173148040
Molecular FormulaC16H27BI3N8
Molecular Weight722.97 g/mol
Exact Mass722.96
IUPAC Name—
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.I.I.I.[B]
InChIInChI=1S/4C4H6N2.B.3HI/c4*1-6-3-2-5-4-6;;;;/h4*2-4H,1H3;;3*1H
InChIKeyGLWWEPYKYZIAAH-UHFFFAOYSA-N
XLogP3.15
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500722.97
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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hydron;1-methylimidazole
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azane;1-methylimidazole;platinum(2+);dichloride
CID 10270176
ethene;1-methylimidazole
CID 70468306
barium(2+);ethane;1-methylimidazole;difluoride
CID 144994303
1-methylimidazole;tetrachlorotitanium
CID 174841078
ethane;1-methylimidazole;N-methylmethanamine
CID 142299276
dichloromercury;bis(1-methylimidazole)
CID 67805046
hydron;1-methylimidazole;tetrafluoroborate
CID 122361255
tetrakis(1-methylimidazole);platinum(2+);diperchlorate
CID 139054952
chloroethane;1-methylimidazole
CID 67152789
1-methylimidazole;phosphoric acid;hexahydrofluoride
CID 158112836

Frequently Asked Questions

What is the IUPAC name of CID 173148040?
The IUPAC name of CID 173148040 (CID 173148040) is not available.
What is the SMILES notation for CID 173148040?
The canonical SMILES for CID 173148040 is Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.I.I.I.[B].
What is the InChIKey of CID 173148040?
The InChIKey is GLWWEPYKYZIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6N2.B.3HI/c4*1-6-3-2-5-4-6;;;;/h4*2-4H,1H3;;3*1H.
What are the key properties of CID 173148040?
CID 173148040 has a molecular weight of 722.97 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173148040 is sourced from PubChem (CID 173148040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).