2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine

C50H35N — CID 171451355

About 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine

2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 171451355) has the molecular formula C50H35N and a molecular weight of 669.96 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 171451355
• Molecular Formula: C50H35N
• Molecular Weight: 669.96 g/mol
• Exact Mass: 669.40
• IUPAC Name: 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C50H35N/c1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-45(32-28-39)51(50-22-10-16-42-14-5-7-20-49(42)50)46-33-29-40(30-34-46)43-17-8-18-44(35-43)48-21-9-15-41-13-4-6-19-47(41)48/h1-35H/i1D,2D,3D,5D,7D,10D,11D,12D,14D,16D,20D,22D,23D,24D,25D,26D,27D,28D,31D,32D
• InChIKey: JWRIKAXDJAERFX-FGDKKTFBSA-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	669.96
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine (CID 171451355) is 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine?

The InChIKey is JWRIKAXDJAERFX-FGDKKTFBSA-N. The full InChI is InChI=1S/C50H35N/c1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-45(32-28-39)51(50-22-10-16-42-14-5-7-20-49(42)50)46-33-29-40(30-34-46)43-17-8-18-44(35-43)48-21-9-15-41-13-4-6-19-47(41)48/h1-35H/i1D,2D,3D,5D,7D,10D,11D,12D,14D,16D,20D,22D,23D,24D,25D,26D,27D,28D,31D,32D.

What are the key properties of 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine?

2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 669.96 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 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 171451355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).