N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline

C40H42N6+2 — CID 58637435

IUPACN-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
SMILESCN(/N=C/c1cc[n+](CCCCCC[n+]2c3ccccc3c(/C=N/N(C)c3ccccc3)c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C40H42N6/c1-43(34-17-7-5-8-18-34)41-31-33-25-29-45(30-26-33)27-15-3-4-16-28-46-39-23-13-11-21-36(39)38(37-22-12-14-24-40(37)46)32-42-44(2)35-19-9-6-10-20-35/h5-14,17-26,29-32H,3-4,15-16,27-28H2,1-2H3/q+2
InChIKeyGHPNVFHHQGJUKS-UHFFFAOYSA-N
MW606.82 g/mol
LogP7.77
Rot. Bonds13

About N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline

N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline (PubChem CID 58637435) has the molecular formula C40H42N6+2 and a molecular weight of 606.82 g/mol. Its IUPAC name is N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
PubChem CID58637435
Molecular FormulaC40H42N6+2
Molecular Weight606.82 g/mol
Exact Mass606.35
IUPAC NameN-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
SMILESCN(/N=C/c1cc[n+](CCCCCC[n+]2c3ccccc3c(/C=N/N(C)c3ccccc3)c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C40H42N6/c1-43(34-17-7-5-8-18-34)41-31-33-25-29-45(30-26-33)27-15-3-4-16-28-46-39-23-13-11-21-36(39)38(37-22-12-14-24-40(37)46)32-42-44(2)35-19-9-6-10-20-35/h5-14,17-26,29-32H,3-4,15-16,27-28H2,1-2H3/q+2
InChIKeyGHPNVFHHQGJUKS-UHFFFAOYSA-N
XLogP7.77
TPSA38.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.82
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
The IUPAC name of N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline (CID 58637435) is N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline is CN(/N=C/c1cc[n+](CCCCCC[n+]2c3ccccc3c(/C=N/N(C)c3ccccc3)c3ccccc32)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
The InChIKey is GHPNVFHHQGJUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N6/c1-43(34-17-7-5-8-18-34)41-31-33-25-29-45(30-26-33)27-15-3-4-16-28-46-39-23-13-11-21-36(39)38(37-22-12-14-24-40(37)46)32-42-44(2)35-19-9-6-10-20-35/h5-14,17-26,29-32H,3-4,15-16,27-28H2,1-2H3/q+2.
What are the key properties of N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline?
N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline has a molecular weight of 606.82 g/mol, XLogP of 7.77, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline is sourced from PubChem (CID 58637435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).