N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline

C48H52N2O4 — CID 67813888

About N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline

N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline (PubChem CID 67813888) has the molecular formula C48H52N2O4 and a molecular weight of 720.95 g/mol. Its IUPAC name is N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline.

Molecular Properties

• Compound Name: N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline
• PubChem CID: 67813888
• Molecular Formula: C48H52N2O4
• Molecular Weight: 720.95 g/mol
• Exact Mass: 720.39
• IUPAC Name: N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline
• SMILES: CC(C)Oc1cc(OC(C)C)cc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2cc(OC(C)C)cc(OC(C)C)c2)c1
• InChI: InChI=1S/C48H52N2O4/c1-33(2)51-45-27-43(28-46(31-45)52-34(3)4)50(44-29-47(53-35(5)6)32-48(30-44)54-36(7)8)42-25-21-38(22-26-42)37-19-23-41(24-20-37)49(39-15-11-9-12-16-39)40-17-13-10-14-18-40/h9-36H,1-8H3
• InChIKey: SEOIFIYMHHDYEX-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.95
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline?

The IUPAC name of N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline (CID 67813888) is N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline.

What is the SMILES notation for N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline?

The canonical SMILES for N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline is CC(C)Oc1cc(OC(C)C)cc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2cc(OC(C)C)cc(OC(C)C)c2)c1.

What is the InChIKey of N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline?

The InChIKey is SEOIFIYMHHDYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N2O4/c1-33(2)51-45-27-43(28-46(31-45)52-34(3)4)50(44-29-47(53-35(5)6)32-48(30-44)54-36(7)8)42-25-21-38(22-26-42)37-19-23-41(24-20-37)49(39-15-11-9-12-16-39)40-17-13-10-14-18-40/h9-36H,1-8H3.

What are the key properties of N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline?

N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline has a molecular weight of 720.95 g/mol, XLogP of 13.44, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline is sourced from PubChem (CID 67813888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).