CID 101355421

C21H12BiF2N3 — CID 101355421

IUPAC—
SMILESN#CC1=CC=C=C[CH]1.N#CC1=CC=C=C[CH]1.N#CC1=CC=C=C[CH]1.[Bi+2].[F-].[F-]
InChIInChI=1S/3C7H4N.Bi.2FH/c3*8-6-7-4-2-1-3-5-7;;;/h3*2-5H;;2*1H/q;;;+2;;/p-2
InChIKeyYTQGEEOQMDUNED-UHFFFAOYSA-L
MW553.32 g/mol
LogP-2.28
Rot. Bonds

About CID 101355421

CID 101355421 (PubChem CID 101355421) has the molecular formula C21H12BiF2N3 and a molecular weight of 553.32 g/mol.

Molecular Properties

Compound NameCID 101355421
PubChem CID101355421
Molecular FormulaC21H12BiF2N3
Molecular Weight553.32 g/mol
Exact Mass553.08
IUPAC Name—
SMILESN#CC1=CC=C=C[CH]1.N#CC1=CC=C=C[CH]1.N#CC1=CC=C=C[CH]1.[Bi+2].[F-].[F-]
InChIInChI=1S/3C7H4N.Bi.2FH/c3*8-6-7-4-2-1-3-5-7;;;/h3*2-5H;;2*1H/q;;;+2;;/p-2
InChIKeyYTQGEEOQMDUNED-UHFFFAOYSA-L
XLogP-2.28
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.32
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 101355421?
The IUPAC name of CID 101355421 (CID 101355421) is not available.
What is the SMILES notation for CID 101355421?
The canonical SMILES for CID 101355421 is N#CC1=CC=C=C[CH]1.N#CC1=CC=C=C[CH]1.N#CC1=CC=C=C[CH]1.[Bi+2].[F-].[F-].
What is the InChIKey of CID 101355421?
The InChIKey is YTQGEEOQMDUNED-UHFFFAOYSA-L. The full InChI is InChI=1S/3C7H4N.Bi.2FH/c3*8-6-7-4-2-1-3-5-7;;;/h3*2-5H;;2*1H/q;;;+2;;/p-2.
What are the key properties of CID 101355421?
CID 101355421 has a molecular weight of 553.32 g/mol, XLogP of -2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101355421 is sourced from PubChem (CID 101355421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).