4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium

C32H26NO+ — CID 170244640

IUPAC4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccccc2C)[n+]1C
InChIInChI=1S/C32H26NO/c1-21-10-4-6-12-25(21)29-18-24(19-30(33(29)3)26-13-7-5-11-22(26)2)23-16-17-28-27-14-8-9-15-31(27)34-32(28)20-23/h4-20H,1-3H3/q+1
InChIKeyPKNWICCDIQLTLB-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.03
Rot. Bonds3

About 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium

4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium (PubChem CID 170244640) has the molecular formula C32H26NO+ and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
PubChem CID170244640
Molecular FormulaC32H26NO+
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccccc2C)[n+]1C
InChIInChI=1S/C32H26NO/c1-21-10-4-6-12-25(21)29-18-24(19-30(33(29)3)26-13-7-5-11-22(26)2)23-16-17-28-27-14-8-9-15-31(27)34-32(28)20-23/h4-20H,1-3H3/q+1
InChIKeyPKNWICCDIQLTLB-UHFFFAOYSA-N
XLogP8.03
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.03
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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Related Compounds

3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-(2-methylphenyl)dibenzofuran
CID 118188503
3-methyl-2-(2-methylphenyl)-[1]benzofuro[3,2-g][1,3]benzoxazol-3-ium
CID 169309271
3-(3-methylphenyl)dibenzofuran
CID 70924364
CID 166569763
CID 166569763
1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
CID 134513522
3-(2-chlorophenyl)dibenzofuran
CID 138667405
3-(2-fluorophenyl)dibenzofuran
CID 176831249
3-naphthalen-2-yldibenzofuran
CID 68932481
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran
CID 118488750
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium (CID 170244640) is 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium is Cc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccccc2C)[n+]1C.
What is the InChIKey of 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium?
The InChIKey is PKNWICCDIQLTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26NO/c1-21-10-4-6-12-25(21)29-18-24(19-30(33(29)3)26-13-7-5-11-22(26)2)23-16-17-28-27-14-8-9-15-31(27)34-32(28)20-23/h4-20H,1-3H3/q+1.
What are the key properties of 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium?
4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium has a molecular weight of 440.57 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 170244640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).