N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine

C30H38N2S — CID 102098000

About N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine (PubChem CID 102098000) has the molecular formula C30H38N2S and a molecular weight of 458.72 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine.

Molecular Properties

• Compound Name: N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
• PubChem CID: 102098000
• Molecular Formula: C30H38N2S
• Molecular Weight: 458.72 g/mol
• Exact Mass: 458.28
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1cscc1/C=N/c1c(C(C)C)cccc1C(C)C
• InChI: InChI=1S/C30H38N2S/c1-19(2)25-11-9-12-26(20(3)4)29(25)31-15-23-17-33-18-24(23)16-32-30-27(21(5)6)13-10-14-28(30)22(7)8/h9-22H,1-8H3/b31-15+,32-16+
• InChIKey: NFPRNLYJCJCUDK-IHXWQEJPSA-N
• XLogP: 9.74
• TPSA: 24.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.72
LogP ≤ 5	9.74
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-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine?

The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine (CID 102098000) is N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine.

What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine?

The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1cscc1/C=N/c1c(C(C)C)cccc1C(C)C.

What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine?

The InChIKey is NFPRNLYJCJCUDK-IHXWQEJPSA-N. The full InChI is InChI=1S/C30H38N2S/c1-19(2)25-11-9-12-26(20(3)4)29(25)31-15-23-17-33-18-24(23)16-32-30-27(21(5)6)13-10-14-28(30)22(7)8/h9-22H,1-8H3/b31-15+,32-16+.

What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine?

N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine has a molecular weight of 458.72 g/mol, XLogP of 9.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine is sourced from PubChem (CID 102098000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).