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

C38H27N — CID 171451530

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

N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine (PubChem CID 171451530) has the molecular formula C38H27N and a molecular weight of 510.72 g/mol. Its IUPAC name is N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine
• PubChem CID: 171451530
• Molecular Formula: C38H27N
• Molecular Weight: 510.72 g/mol
• Exact Mass: 510.30
• IUPAC Name: N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4ccc5ccccc5c4)c3[2H])c3cccc4ccccc34)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C38H27N/c1-2-10-28(11-3-1)30-22-24-35(25-23-30)39(38-19-9-15-31-13-6-7-18-37(31)38)36-17-8-16-33(27-36)34-21-20-29-12-4-5-14-32(29)26-34/h1-27H/i1D,2D,3D,8D,10D,11D,16D,17D,22D,23D,24D,25D,27D
• InChIKey: LGOZJIDKWQJZNN-LLZMJOFVSA-N
• XLogP: 10.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.72
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine (CID 171451530) is N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine.

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

The canonical SMILES for N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4ccc5ccccc5c4)c3[2H])c3cccc4ccccc34)c([2H])c2[2H])c([2H])c1[2H].

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

The InChIKey is LGOZJIDKWQJZNN-LLZMJOFVSA-N. The full InChI is InChI=1S/C38H27N/c1-2-10-28(11-3-1)30-22-24-35(25-23-30)39(38-19-9-15-31-13-6-7-18-37(31)38)36-17-8-16-33(27-36)34-21-20-29-12-4-5-14-32(29)26-34/h1-27H/i1D,2D,3D,8D,10D,11D,16D,17D,22D,23D,24D,25D,27D.

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

N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine has a molecular weight of 510.72 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 171451530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).