1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine

C36H38N4 — CID 130467532

About 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine

1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine (PubChem CID 130467532) has the molecular formula C36H38N4 and a molecular weight of 526.73 g/mol. Its IUPAC name is 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine.

Molecular Properties

• Compound Name: 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine
• PubChem CID: 130467532
• Molecular Formula: C36H38N4
• Molecular Weight: 526.73 g/mol
• Exact Mass: 526.31
• IUPAC Name: 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine
• SMILES: C=Nc1cc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)c(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)cc1N=C
• InChI: InChI=1S/C36H38N4/c1-21(2)27-13-28(22(3)4)16-31(15-27)25(9)39-35-19-33(37-11)34(38-12)20-36(35)40-26(10)32-17-29(23(5)6)14-30(18-32)24(7)8/h13-20H,1,3,5,7,11-12H2,2,4,6,8-10H3/b39-25+,40-26+
• InChIKey: GSHADEPTUZVJIN-YXTVXKGXSA-N
• XLogP: 10.76
• TPSA: 49.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.73
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine?

The IUPAC name of 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine (CID 130467532) is 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine.

What is the SMILES notation for 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine?

The canonical SMILES for 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine is C=Nc1cc(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)c(/N=C(\C)c2cc(C(=C)C)cc(C(=C)C)c2)cc1N=C.

What is the InChIKey of 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine?

The InChIKey is GSHADEPTUZVJIN-YXTVXKGXSA-N. The full InChI is InChI=1S/C36H38N4/c1-21(2)27-13-28(22(3)4)16-31(15-27)25(9)39-35-19-33(37-11)34(38-12)20-36(35)40-26(10)32-17-29(23(5)6)14-30(18-32)24(7)8/h13-20H,1,3,5,7,11-12H2,2,4,6,8-10H3/b39-25+,40-26+.

What are the key properties of 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine?

1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine has a molecular weight of 526.73 g/mol, XLogP of 10.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-bis(prop-1-en-2-yl)phenyl]-N-[2-[1-[3,5-bis(prop-1-en-2-yl)phenyl]ethylideneamino]-4,5-bis(methylideneamino)phenyl]ethanimine is sourced from PubChem (CID 130467532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).