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

C44H31N — CID 172527243

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

N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine (PubChem CID 172527243) has the molecular formula C44H31N and a molecular weight of 586.82 g/mol. Its IUPAC name is N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine
• PubChem CID: 172527243
• Molecular Formula: C44H31N
• Molecular Weight: 586.82 g/mol
• Exact Mass: 586.33
• IUPAC Name: N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4ccccc4c3)c3c([2H])c([2H])c(-c4ccc5ccccc5c4-c4ccccc4)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C44H31N/c1-3-11-32(12-4-1)34-19-25-39(26-20-34)45(41-29-21-33-13-7-8-17-38(33)31-41)40-27-22-36(23-28-40)43-30-24-35-14-9-10-18-42(35)44(43)37-15-5-2-6-16-37/h1-31H/i1D,3D,4D,11D,12D,19D,20D,22D,23D,25D,26D,27D,28D
• InChIKey: MNFVHONRYQDAJD-WXMPCYDJSA-N
• XLogP: 12.46
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.82
LogP ≤ 5	12.46
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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine?

The IUPAC name of N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine (CID 172527243) is N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine.

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

The canonical SMILES for N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4ccccc4c3)c3c([2H])c([2H])c(-c4ccc5ccccc5c4-c4ccccc4)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].

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

The InChIKey is MNFVHONRYQDAJD-WXMPCYDJSA-N. The full InChI is InChI=1S/C44H31N/c1-3-11-32(12-4-1)34-19-25-39(26-20-34)45(41-29-21-33-13-7-8-17-38(33)31-41)40-27-22-36(23-28-40)43-30-24-35-14-9-10-18-42(35)44(43)37-15-5-2-6-16-37/h1-31H/i1D,3D,4D,11D,12D,19D,20D,22D,23D,25D,26D,27D,28D.

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

N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 586.82 g/mol, XLogP of 12.46, 6 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-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 172527243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).