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

C50H35N — CID 172527440

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

N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 172527440) 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-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine
• PubChem CID: 172527440
• Molecular Formula: C50H35N
• Molecular Weight: 657.89 g/mol
• Exact Mass: 657.33
• IUPAC Name: N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc3ccccc3c2)c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C50H35N/c1-3-12-36(13-4-1)42-19-11-20-43(34-42)38-22-28-45(29-23-38)51(47-32-24-37-14-7-8-18-44(37)35-47)46-30-25-41(26-31-46)50-48-21-10-9-17-40(48)27-33-49(50)39-15-5-2-6-16-39/h1-35H/i22D,23D,25D,26D,28D,29D,30D,31D
• InChIKey: RRZQDLOKNMYRMY-LHYXYRJZSA-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-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine?

The IUPAC name of N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine (CID 172527440) is N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine.

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

The canonical SMILES for N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine is [2H]c1c([2H])c(N(c2ccc3ccccc3c2)c2c([2H])c([2H])c(-c3c(-c4ccccc4)ccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.

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

The InChIKey is RRZQDLOKNMYRMY-LHYXYRJZSA-N. The full InChI is InChI=1S/C50H35N/c1-3-12-36(13-4-1)42-19-11-20-43(34-42)38-22-28-45(29-23-38)51(47-32-24-37-14-7-8-18-44(37)35-47)46-30-25-41(26-31-46)50-48-21-10-9-17-40(48)27-33-49(50)39-15-5-2-6-16-39/h1-35H/i22D,23D,25D,26D,28D,29D,30D,31D.

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

N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-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-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 172527440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).