7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride

C25H17ClN2 — CID 71817886

IUPAC7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride
SMILES[Cl-].c1ccc(-n2c[n+](-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C25H17N2.ClH/c1-3-11-19(12-4-1)26-17-27(20-13-5-2-6-14-20)25-22-16-8-10-18-9-7-15-21(23(18)22)24(25)26;/h1-17H;1H/q+1;/p-1
InChIKeySQOSMVJPHRIHRW-UHFFFAOYSA-M
MW380.88 g/mol
LogP2.56
Rot. Bonds2

About 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride

7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride (PubChem CID 71817886) has the molecular formula C25H17ClN2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride.

Molecular Properties

Compound Name7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride
PubChem CID71817886
Molecular FormulaC25H17ClN2
Molecular Weight380.88 g/mol
Exact Mass380.11
IUPAC Name7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride
SMILES[Cl-].c1ccc(-n2c[n+](-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C25H17N2.ClH/c1-3-11-19(12-4-1)26-17-27(20-13-5-2-6-14-20)25-22-16-8-10-18-9-7-15-21(23(18)22)24(25)26;/h1-17H;1H/q+1;/p-1
InChIKeySQOSMVJPHRIHRW-UHFFFAOYSA-M
XLogP2.56
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride?
The IUPAC name of 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride (CID 71817886) is 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride.
What is the SMILES notation for 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride?
The canonical SMILES for 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride is [Cl-].c1ccc(-n2c[n+](-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride?
The InChIKey is SQOSMVJPHRIHRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H17N2.ClH/c1-3-11-19(12-4-1)26-17-27(20-13-5-2-6-14-20)25-22-16-8-10-18-9-7-15-21(23(18)22)24(25)26;/h1-17H;1H/q+1;/p-1.
What are the key properties of 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride?
7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride has a molecular weight of 380.88 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride is sourced from PubChem (CID 71817886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).