2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide

C38H44N2O2Se2 — CID 15268349

About 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide

2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 15268349) has the molecular formula C38H44N2O2Se2 and a molecular weight of 718.70 g/mol. Its IUPAC name is 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
• PubChem CID: 15268349
• Molecular Formula: C38H44N2O2Se2
• Molecular Weight: 718.70 g/mol
• Exact Mass: 720.17
• IUPAC Name: 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
• SMILES: CC(C)N(C(=O)c1ccccc1-c1ccccc1[Se][Se]c1ccccc1-c1ccccc1C(=O)N(C(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C38H44N2O2Se2/c1-25(2)39(26(3)4)37(41)33-21-11-9-17-29(33)31-19-13-15-23-35(31)43-44-36-24-16-14-20-32(36)30-18-10-12-22-34(30)38(42)40(27(5)6)28(7)8/h9-28H,1-8H3
• InChIKey: OXLDWSKTGNXLCD-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.70
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide?

The IUPAC name of 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide (CID 15268349) is 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide.

What is the SMILES notation for 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide?

The canonical SMILES for 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1ccccc1[Se][Se]c1ccccc1-c1ccccc1C(=O)N(C(C)C)C(C)C)C(C)C.

What is the InChIKey of 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide?

The InChIKey is OXLDWSKTGNXLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N2O2Se2/c1-25(2)39(26(3)4)37(41)33-21-11-9-17-29(33)31-19-13-15-23-35(31)43-44-36-24-16-14-20-32(36)30-18-10-12-22-34(30)38(42)40(27(5)6)28(7)8/h9-28H,1-8H3.

What are the key properties of 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide?

2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 718.70 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 15268349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).