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

C50H35N — CID 172527253

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

N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 172527253) has the molecular formula C50H35N and a molecular weight of 657.89 g/mol. Its IUPAC name is N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
• PubChem CID: 172527253
• Molecular Formula: C50H35N
• Molecular Weight: 657.89 g/mol
• Exact Mass: 657.33
• IUPAC Name: N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
• SMILES: [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C50H35N/c1-3-13-36(14-4-1)42-20-11-21-43(35-42)37-25-30-44(31-26-37)51(49-24-12-19-38-15-7-9-22-46(38)49)45-32-27-40(28-33-45)48-34-29-39-16-8-10-23-47(39)50(48)41-17-5-2-6-18-41/h1-35H/i25D,26D,27D,28D,30D,31D,32D,33D
• InChIKey: ZGKNIJVRCMQLPA-ZTZIYFLJSA-N
• XLogP: 14.13
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.89
LogP ≤ 5	14.13
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-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine?

The IUPAC name of N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine (CID 172527253) is N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine.

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

The canonical SMILES for N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.

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

The InChIKey is ZGKNIJVRCMQLPA-ZTZIYFLJSA-N. The full InChI is InChI=1S/C50H35N/c1-3-13-36(14-4-1)42-20-11-21-43(35-42)37-25-30-44(31-26-37)51(49-24-12-19-38-15-7-9-22-46(38)49)45-32-27-40(28-33-45)48-34-29-39-16-8-10-23-47(39)50(48)41-17-5-2-6-18-41/h1-35H/i25D,26D,27D,28D,30D,31D,32D,33D.

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

N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 657.89 g/mol, XLogP of 14.13, 7 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-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 172527253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).