(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

C26H27N4+ — CID 7025608

IUPAC(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESC[NH+]1CCN(/N=C\c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C26H26N4/c1-28-16-18-29(19-17-28)27-20-24-23-14-8-9-15-25(23)30(22-12-6-3-7-13-22)26(24)21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3/p+1/b27-20-
InChIKeyJDISLKYPDVOOHJ-OOAXWGSJSA-O
MW395.53 g/mol
LogP3.46
Rot. Bonds4

About (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine (PubChem CID 7025608) has the molecular formula C26H27N4+ and a molecular weight of 395.53 g/mol. Its IUPAC name is (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
PubChem CID7025608
Molecular FormulaC26H27N4+
Molecular Weight395.53 g/mol
Exact Mass395.22
IUPAC Name(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESC[NH+]1CCN(/N=C\c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C26H26N4/c1-28-16-18-29(19-17-28)27-20-24-23-14-8-9-15-25(23)30(22-12-6-3-7-13-22)26(24)21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3/p+1/b27-20-
InChIKeyJDISLKYPDVOOHJ-OOAXWGSJSA-O
XLogP3.46
TPSA24.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
(Z)-1-(1-methyl-2-phenylindol-3-yl)-N-piperidin-1-ylmethanimine
CID 7612711
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine
CID 2307285
2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline
CID 4162312
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708
3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline
CID 4190945
N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2308479
methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
CID 169479953
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902143
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6250185

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The IUPAC name of (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine (CID 7025608) is (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine.
What is the SMILES notation for (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The canonical SMILES for (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine is C[NH+]1CCN(/N=C\c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The InChIKey is JDISLKYPDVOOHJ-OOAXWGSJSA-O. The full InChI is InChI=1S/C26H26N4/c1-28-16-18-29(19-17-28)27-20-24-23-14-8-9-15-25(23)30(22-12-6-3-7-13-22)26(24)21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3/p+1/b27-20-.
What are the key properties of (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine has a molecular weight of 395.53 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine is sourced from PubChem (CID 7025608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).