4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium

C26H24NO+ — CID 170517260

IUPAC4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium
SMILESC[n+]1ccc(-c2cc(C(C)(C)C)c3ccccc3c2)c2oc3ccccc3c21
InChIInChI=1S/C26H24NO/c1-26(2,3)22-16-18(15-17-9-5-6-10-19(17)22)20-13-14-27(4)24-21-11-7-8-12-23(21)28-25(20)24/h5-16H,1-4H3/q+1
InChIKeySROVGJPDEGAONI-UHFFFAOYSA-N
MW366.48 g/mol
LogP6.53
Rot. Bonds1

About 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium

4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium (PubChem CID 170517260) has the molecular formula C26H24NO+ and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium
PubChem CID170517260
Molecular FormulaC26H24NO+
Molecular Weight366.48 g/mol
Exact Mass366.19
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium
SMILESC[n+]1ccc(-c2cc(C(C)(C)C)c3ccccc3c2)c2oc3ccccc3c21
InChIInChI=1S/C26H24NO/c1-26(2,3)22-16-18(15-17-9-5-6-10-19(17)22)20-13-14-27(4)24-21-11-7-8-12-23(21)28-25(20)24/h5-16H,1-4H3/q+1
InChIKeySROVGJPDEGAONI-UHFFFAOYSA-N
XLogP6.53
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 56.53
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

4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
6-(4-tert-butylnaphthalen-2-yl)-3-fluoro-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 177073361
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane
CID 171764340
[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[2,3-c]pyridin-6-yl]-trimethylgermane
CID 166018616
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylgermane
CID 171764285
4-(1-benzofuran-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741463
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
CID 171718045
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
3-dibenzofuran-4-ylnaphthalen-1-amine
CID 118534182
8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene
CID 172520345
10-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787377
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium (CID 170517260) is 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium is C[n+]1ccc(-c2cc(C(C)(C)C)c3ccccc3c2)c2oc3ccccc3c21.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium?
The InChIKey is SROVGJPDEGAONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NO/c1-26(2,3)22-16-18(15-17-9-5-6-10-19(17)22)20-13-14-27(4)24-21-11-7-8-12-23(21)28-25(20)24/h5-16H,1-4H3/q+1.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium?
4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium has a molecular weight of 366.48 g/mol, XLogP of 6.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylnaphthalen-2-yl)-1-methyl-[1]benzofuro[3,2-b]pyridin-1-ium is sourced from PubChem (CID 170517260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).