2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline

C49H37N — CID 171452241

About 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline

2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (PubChem CID 171452241) has the molecular formula C49H37N and a molecular weight of 651.92 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
• PubChem CID: 171452241
• Molecular Formula: C49H37N
• Molecular Weight: 651.92 g/mol
• Exact Mass: 651.37
• IUPAC Name: 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
• SMILES: [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3cccc4c3C(C)(C)c3ccccc3-4)c([2H])c2[2H])c1[2H]
• InChI: InChI=1S/C49H37N/c1-49(2)47-21-9-8-18-45(47)46-20-11-19-44(48(46)49)37-26-30-42(31-27-37)50(41-28-24-36(25-29-41)34-12-4-3-5-13-34)43-17-10-16-39(33-43)40-23-22-35-14-6-7-15-38(35)32-40/h3-33H,1-2H3/i10D,16D,17D,24D,25D,26D,27D,28D,29D,30D,31D,33D
• InChIKey: ICZWEMFJHFLZAN-SSOYBOKOSA-N
• XLogP: 13.62
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.92
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?

The IUPAC name of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (CID 171452241) is 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.

What is the SMILES notation for 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?

The canonical SMILES for 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c2c([2H])c([2H])c(-c3cccc4c3C(C)(C)c3ccccc3-4)c([2H])c2[2H])c1[2H].

What is the InChIKey of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?

The InChIKey is ICZWEMFJHFLZAN-SSOYBOKOSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)47-21-9-8-18-45(47)46-20-11-19-44(48(46)49)37-26-30-42(31-27-37)50(41-28-24-36(25-29-41)34-12-4-3-5-13-34)43-17-10-16-39(33-43)40-23-22-35-14-6-7-15-38(35)32-40/h3-33H,1-2H3/i10D,16D,17D,24D,25D,26D,27D,28D,29D,30D,31D,33D.

What are the key properties of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?

2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline has a molecular weight of 651.92 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is sourced from PubChem (CID 171452241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).