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

C50H35N — CID 171451609

About 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)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-(3-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 171451609) has the molecular formula C50H35N and a molecular weight of 660.90 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-(3-phenylphenyl)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-(3-phenylphenyl)phenyl]naphthalen-1-amine
• PubChem CID: 171451609
• Molecular Formula: C50H35N
• Molecular Weight: 660.90 g/mol
• Exact Mass: 660.35
• IUPAC Name: 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C50H35N/c1-2-12-36(13-3-1)41-18-8-19-42(34-41)37-26-30-45(31-27-37)51(50-25-11-17-40-15-5-7-23-49(40)50)46-32-28-38(29-33-46)43-20-9-21-44(35-43)48-24-10-16-39-14-4-6-22-47(39)48/h1-35H/i5D,7D,11D,15D,17D,23D,25D,26D,27D,30D,31D
• InChIKey: VIUBTVOEFNZOOP-SDZALLRGSA-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	660.90
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-(3-phenylphenyl)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-(3-phenylphenyl)phenyl]naphthalen-1-amine (CID 171451609) is 2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)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-(3-phenylphenyl)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-(3-phenylphenyl)phenyl]naphthalen-1-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.

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-(3-phenylphenyl)phenyl]naphthalen-1-amine?

The InChIKey is VIUBTVOEFNZOOP-SDZALLRGSA-N. The full InChI is InChI=1S/C50H35N/c1-2-12-36(13-3-1)41-18-8-19-42(34-41)37-26-30-45(31-27-37)51(50-25-11-17-40-15-5-7-23-49(40)50)46-32-28-38(29-33-46)43-20-9-21-44(35-43)48-24-10-16-39-14-4-6-22-47(39)48/h1-35H/i5D,7D,11D,15D,17D,23D,25D,26D,27D,30D,31D.

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-(3-phenylphenyl)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-(3-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 660.90 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-(3-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 171451609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).