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

C55H41N — CID 171452874

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

2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline (PubChem CID 171452874) has the molecular formula C55H41N and a molecular weight of 723.99 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 171452874
• Molecular Formula: C55H41N
• Molecular Weight: 723.99 g/mol
• Exact Mass: 723.37
• IUPAC Name: 2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
• SMILES: [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2c([2H])c([2H])c(-c3cccc(-c4ccccc4)c3)c([2H])c2[2H])c1[2H]
• InChI: InChI=1S/C55H41N/c1-55(2)53-24-9-8-21-51(53)52-23-12-22-50(54(52)55)41-29-33-48(34-30-41)56(49-20-11-19-45(37-49)46-26-25-39-15-6-7-16-42(39)36-46)47-31-27-40(28-32-47)44-18-10-17-43(35-44)38-13-4-3-5-14-38/h3-37H,1-2H3/i11D,19D,20D,27D,28D,31D,32D,37D
• InChIKey: SCJRHBBSHHQFGI-AIVADKGRSA-N
• XLogP: 15.28
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.99
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline (CID 171452874) is 2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for 2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2c([2H])c([2H])c(-c3cccc(-c4ccccc4)c3)c([2H])c2[2H])c1[2H].

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

The InChIKey is SCJRHBBSHHQFGI-AIVADKGRSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)53-24-9-8-21-51(53)52-23-12-22-50(54(52)55)41-29-33-48(34-30-41)56(49-20-11-19-45(37-49)46-26-25-39-15-6-7-16-42(39)36-46)47-31-27-40(28-32-47)44-18-10-17-43(35-44)38-13-4-3-5-14-38/h3-37H,1-2H3/i11D,19D,20D,27D,28D,31D,32D,37D.

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

2,3,4,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 723.99 g/mol, XLogP of 15.28, 7 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-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 171452874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).