N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

C56H39N — CID 172526892

About N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (PubChem CID 172526892) has the molecular formula C56H39N and a molecular weight of 733.98 g/mol. Its IUPAC name is N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
• PubChem CID: 172526892
• Molecular Formula: C56H39N
• Molecular Weight: 733.98 g/mol
• Exact Mass: 733.36
• IUPAC Name: N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
• SMILES: [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
• InChI: InChI=1S/C56H39N/c1-4-15-41(16-5-1)50-37-32-47(39-54(50)44-19-8-3-9-20-44)40-27-33-48(34-28-40)57(55-26-14-23-42-21-10-12-24-51(42)55)49-35-29-46(30-36-49)56-52-25-13-11-22-45(52)31-38-53(56)43-17-6-2-7-18-43/h1-39H/i27D,28D,29D,30D,33D,34D,35D,36D
• InChIKey: WPEBBLSCRYALGE-NGKNFPSBSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.98
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?

The IUPAC name of N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (CID 172526892) is N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.

What is the SMILES notation for N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?

The canonical SMILES for N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1.

What is the InChIKey of N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?

The InChIKey is WPEBBLSCRYALGE-NGKNFPSBSA-N. The full InChI is InChI=1S/C56H39N/c1-4-15-41(16-5-1)50-37-32-47(39-54(50)44-19-8-3-9-20-44)40-27-33-48(34-28-40)57(55-26-14-23-42-21-10-12-24-51(42)55)49-35-29-46(30-36-49)56-52-25-13-11-22-45(52)31-38-53(56)43-17-6-2-7-18-43/h1-39H/i27D,28D,29D,30D,33D,34D,35D,36D.

What are the key properties of N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?

N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine has a molecular weight of 733.98 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 172526892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).