N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine

C35H26N2S — CID 144705147

About N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine

N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine (PubChem CID 144705147) has the molecular formula C35H26N2S and a molecular weight of 506.67 g/mol. Its IUPAC name is N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine.

Molecular Properties

• Compound Name: N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine
• PubChem CID: 144705147
• Molecular Formula: C35H26N2S
• Molecular Weight: 506.67 g/mol
• Exact Mass: 506.18
• IUPAC Name: N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine
• SMILES: C=NC(=C)c1ccc(-n2c3cc(C)c(-c4ccccc4C)cc3c3c4sc5ccccc5c4ccc32)cc1
• InChI: InChI=1S/C35H26N2S/c1-21-9-5-6-10-26(21)29-20-30-32(19-22(29)2)37(25-15-13-24(14-16-25)23(3)36-4)31-18-17-28-27-11-7-8-12-33(27)38-35(28)34(30)31/h5-20H,3-4H2,1-2H3
• InChIKey: BKCFSRFIYZZYEV-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 17.29 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.67
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine?

The IUPAC name of N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine (CID 144705147) is N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine.

What is the SMILES notation for N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine?

The canonical SMILES for N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine is C=NC(=C)c1ccc(-n2c3cc(C)c(-c4ccccc4C)cc3c3c4sc5ccccc5c4ccc32)cc1.

What is the InChIKey of N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine?

The InChIKey is BKCFSRFIYZZYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2S/c1-21-9-5-6-10-26(21)29-20-30-32(19-22(29)2)37(25-15-13-24(14-16-25)23(3)36-4)31-18-17-28-27-11-7-8-12-33(27)38-35(28)34(30)31/h5-20H,3-4H2,1-2H3.

What are the key properties of N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine?

N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine has a molecular weight of 506.67 g/mol, XLogP of 10.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[3-methyl-2-(2-methylphenyl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]ethenyl]methanimine is sourced from PubChem (CID 144705147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).