N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline

C49H50N6 — CID 54328629

About N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline

N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline (PubChem CID 54328629) has the molecular formula C49H50N6 and a molecular weight of 722.98 g/mol. Its IUPAC name is N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline.

Molecular Properties

• Compound Name: N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
• PubChem CID: 54328629
• Molecular Formula: C49H50N6
• Molecular Weight: 722.98 g/mol
• Exact Mass: 722.41
• IUPAC Name: N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
• SMILES: CN(N=Cc1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2cc(C=NN(C)c3ccccc3)ccc21)c1ccccc1
• InChI: InChI=1S/C49H50N6/c1-52(40-20-10-8-11-21-40)50-36-38-28-30-48-44(34-38)42-24-14-16-26-46(42)54(48)32-18-6-4-3-5-7-19-33-55-47-27-17-15-25-43(47)45-35-39(29-31-49(45)55)37-51-53(2)41-22-12-9-13-23-41/h8-17,20-31,34-37H,3-7,18-19,32-33H2,1-2H3
• InChIKey: SWSZBVGVMZYFAE-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 41.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.98
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline?

The IUPAC name of N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline (CID 54328629) is N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline.

What is the SMILES notation for N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline?

The canonical SMILES for N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline is CN(N=Cc1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2cc(C=NN(C)c3ccccc3)ccc21)c1ccccc1.

What is the InChIKey of N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline?

The InChIKey is SWSZBVGVMZYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N6/c1-52(40-20-10-8-11-21-40)50-36-38-28-30-48-44(34-38)42-24-14-16-26-46(42)54(48)32-18-6-4-3-5-7-19-33-55-47-27-17-15-25-43(47)45-35-39(29-31-49(45)55)37-51-53(2)41-22-12-9-13-23-41/h8-17,20-31,34-37H,3-7,18-19,32-33H2,1-2H3.

What are the key properties of N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline?

N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline has a molecular weight of 722.98 g/mol, XLogP of 12.27, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline is sourced from PubChem (CID 54328629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).