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

C56H39N — CID 172527119

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

N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine (PubChem CID 172527119) has the molecular formula C56H39N and a molecular weight of 733.98 g/mol. Its IUPAC name is N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)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-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine
• PubChem CID: 172527119
• Molecular Formula: C56H39N
• Molecular Weight: 733.98 g/mol
• Exact Mass: 733.36
• IUPAC Name: N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc3ccccc3c2)c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
• InChI: InChI=1S/C56H39N/c1-4-15-42(16-5-1)52-36-30-48(39-55(52)43-17-6-2-7-18-43)41-24-31-49(32-25-41)57(51-35-26-40-14-10-11-22-47(40)38-51)50-33-27-45(28-34-50)54-37-29-44-19-12-13-23-53(44)56(54)46-20-8-3-9-21-46/h1-39H/i24D,25D,27D,28D,31D,32D,33D,34D
• InChIKey: GFLBXPBYXKGDGG-APIBUWGVSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.98
LogP ≤ 5	15.80
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-(3,4-diphenylphenyl)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-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine (CID 172527119) is N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)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-(3,4-diphenylphenyl)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-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine is [2H]c1c([2H])c(N(c2ccc3ccccc3c2)c2c([2H])c([2H])c(-c3ccc4ccccc4c3-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1.

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

The InChIKey is GFLBXPBYXKGDGG-APIBUWGVSA-N. The full InChI is InChI=1S/C56H39N/c1-4-15-42(16-5-1)52-36-30-48(39-55(52)43-17-6-2-7-18-43)41-24-31-49(32-25-41)57(51-35-26-40-14-10-11-22-47(40)38-51)50-33-27-45(28-34-50)54-37-29-44-19-12-13-23-53(44)56(54)46-20-8-3-9-21-46/h1-39H/i24D,25D,27D,28D,31D,32D,33D,34D.

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

N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 733.98 g/mol, XLogP of 15.80, 8 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-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 172527119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).