1-(dinaphthalen-1-ylmethyl)pyridin-1-ium

C26H20N+ — CID 139416139

IUPAC1-(dinaphthalen-1-ylmethyl)pyridin-1-ium
SMILESc1cc[n+](C(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H20N/c1-6-18-27(19-7-1)26(24-16-8-12-20-10-2-4-14-22(20)24)25-17-9-13-21-11-3-5-15-23(21)25/h1-19,26H/q+1
InChIKeyNRMGWVVLBWZITK-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.92
Rot. Bonds3

About 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium

1-(dinaphthalen-1-ylmethyl)pyridin-1-ium (PubChem CID 139416139) has the molecular formula C26H20N+ and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(dinaphthalen-1-ylmethyl)pyridin-1-ium
PubChem CID139416139
Molecular FormulaC26H20N+
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Name1-(dinaphthalen-1-ylmethyl)pyridin-1-ium
SMILESc1cc[n+](C(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H20N/c1-6-18-27(19-7-1)26(24-16-8-12-20-10-2-4-14-22(20)24)25-17-9-13-21-11-3-5-15-23(21)25/h1-19,26H/q+1
InChIKeyNRMGWVVLBWZITK-UHFFFAOYSA-N
XLogP5.92
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
CID 57276041
CID 57276041
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
CID 174906138
CID 174906138
CID 175062668
CID 175062668
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
4,4-dinaphthalen-1-ylbutylphosphane
CID 141348188
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
1-(3-methylsulfanyl-1-phenylpropyl)naphthalene
CID 91090782

Frequently Asked Questions

What is the IUPAC name of 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium?
The IUPAC name of 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium (CID 139416139) is 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium.
What is the SMILES notation for 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium?
The canonical SMILES for 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium is c1cc[n+](C(c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium?
The InChIKey is NRMGWVVLBWZITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N/c1-6-18-27(19-7-1)26(24-16-8-12-20-10-2-4-14-22(20)24)25-17-9-13-21-11-3-5-15-23(21)25/h1-19,26H/q+1.
What are the key properties of 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium?
1-(dinaphthalen-1-ylmethyl)pyridin-1-ium has a molecular weight of 346.45 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dinaphthalen-1-ylmethyl)pyridin-1-ium is sourced from PubChem (CID 139416139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).