2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline

C34H25N — CID 171452094

IUPAC2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1[2H]
InChIInChI=1S/C34H25N/c1-3-10-26(11-4-1)28-20-22-33(23-21-28)35(32-15-5-2-6-16-32)34-17-9-14-30(25-34)31-19-18-27-12-7-8-13-29(27)24-31/h1-25H/i9D,14D,17D,25D
InChIKeyXAUKWFNEXKRPEA-GQLBZTKTSA-N
MW451.61 g/mol
LogP9.64
Rot. Bonds5

About 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline

2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 171452094) has the molecular formula C34H25N and a molecular weight of 451.61 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID171452094
Molecular FormulaC34H25N
Molecular Weight451.61 g/mol
Exact Mass451.22
IUPAC Name2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1[2H]
InChIInChI=1S/C34H25N/c1-3-10-26(11-4-1)28-20-22-33(23-21-28)35(32-15-5-2-6-16-32)34-17-9-14-30(25-34)31-19-18-27-12-7-8-13-29(27)24-31/h1-25H/i9D,14D,17D,25D
InChIKeyXAUKWFNEXKRPEA-GQLBZTKTSA-N
XLogP9.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171452622
2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452863
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451945
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171450936
N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452805
N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452429
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452941
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452169
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171451985
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine
CID 171450965
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451790
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171451879

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline (CID 171452094) is 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1[2H].
What is the InChIKey of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is XAUKWFNEXKRPEA-GQLBZTKTSA-N. The full InChI is InChI=1S/C34H25N/c1-3-10-26(11-4-1)28-20-22-33(23-21-28)35(32-15-5-2-6-16-32)34-17-9-14-30(25-34)31-19-18-27-12-7-8-13-29(27)24-31/h1-25H/i9D,14D,17D,25D.
What are the key properties of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline?
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 451.61 g/mol, XLogP of 9.64, 5 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-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171452094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).