2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline

C48H36N2 — CID 163689663

About 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline

2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 163689663) has the molecular formula C48H36N2 and a molecular weight of 652.90 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline
• PubChem CID: 163689663
• Molecular Formula: C48H36N2
• Molecular Weight: 652.90 g/mol
• Exact Mass: 652.36
• IUPAC Name: 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline
• SMILES: [2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1c([2H])c([2H])c(N(c2ccccc2)c2ccccc2)c([2H])c1[2H]
• InChI: InChI=1S/C48H36N2/c1-5-15-41(16-6-1)47-23-13-14-24-48(47)50(44-21-11-4-12-22-44)46-35-31-40(32-36-46)38-27-25-37(26-28-38)39-29-33-45(34-30-39)49(42-17-7-2-8-18-42)43-19-9-3-10-20-43/h1-36H/i25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D
• InChIKey: XFPCWZJYYHGGKR-NSHMTLHOSA-N
• XLogP: 13.63
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.90
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline?

The IUPAC name of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline (CID 163689663) is 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline.

What is the SMILES notation for 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline?

The canonical SMILES for 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline is [2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1c([2H])c([2H])c(N(c2ccccc2)c2ccccc2)c([2H])c1[2H].

What is the InChIKey of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline?

The InChIKey is XFPCWZJYYHGGKR-NSHMTLHOSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-15-41(16-6-1)47-23-13-14-24-48(47)50(44-21-11-4-12-22-44)46-35-31-40(32-36-46)38-27-25-37(26-28-38)39-29-33-45(34-30-39)49(42-17-7-2-8-18-42)43-19-9-3-10-20-43/h1-36H/i25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D.

What are the key properties of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline?

2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 652.90 g/mol, XLogP of 13.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 163689663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).