1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine

C26H23N5+2 — CID 11285266

IUPAC1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine
SMILESC[n+]1ccc(/C=N/c2ccc3[nH]c4ccc(/N=C/c5cc[n+](C)cc5)cc4c3c2)cc1
InChIInChI=1S/C26H22N5/c1-30-11-7-19(8-12-30)17-27-21-3-5-25-23(15-21)24-16-22(4-6-26(24)29-25)28-18-20-9-13-31(2)14-10-20/h3-18H,1-2H3/q+1/p+1
InChIKeyBJCVEODLJBUBIY-UHFFFAOYSA-O
MW405.51 g/mol
LogP4.47
Rot. Bonds4

About 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine

1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine (PubChem CID 11285266) has the molecular formula C26H23N5+2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine.

Molecular Properties

Compound Name1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine
PubChem CID11285266
Molecular FormulaC26H23N5+2
Molecular Weight405.51 g/mol
Exact Mass405.19
IUPAC Name1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine
SMILESC[n+]1ccc(/C=N/c2ccc3[nH]c4ccc(/N=C/c5cc[n+](C)cc5)cc4c3c2)cc1
InChIInChI=1S/C26H22N5/c1-30-11-7-19(8-12-30)17-27-21-3-5-25-23(15-21)24-16-22(4-6-26(24)29-25)28-18-20-9-13-31(2)14-10-20/h3-18H,1-2H3/q+1/p+1
InChIKeyBJCVEODLJBUBIY-UHFFFAOYSA-O
XLogP4.47
TPSA48.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine?
The IUPAC name of 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine (CID 11285266) is 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine.
What is the SMILES notation for 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine?
The canonical SMILES for 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine is C[n+]1ccc(/C=N/c2ccc3[nH]c4ccc(/N=C/c5cc[n+](C)cc5)cc4c3c2)cc1.
What is the InChIKey of 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine?
The InChIKey is BJCVEODLJBUBIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N5/c1-30-11-7-19(8-12-30)17-27-21-3-5-25-23(15-21)24-16-22(4-6-26(24)29-25)28-18-20-9-13-31(2)14-10-20/h3-18H,1-2H3/q+1/p+1.
What are the key properties of 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine?
1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine has a molecular weight of 405.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyridin-1-ium-4-yl)-N-[6-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-9H-carbazol-3-yl]methanimine is sourced from PubChem (CID 11285266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).