2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline

C46H33N — CID 164831877

IUPAC2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccccc2)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C46H33N/c1-4-13-35(14-5-1)45-32-27-39(33-46(45)37-15-6-2-7-16-37)34-23-28-41(29-24-34)47(40-19-8-3-9-20-40)42-30-25-38(26-31-42)44-22-12-18-36-17-10-11-21-43(36)44/h1-33H/i23D,24D,25D,26D,28D,29D,30D,31D
InChIKeyPXHMPLVYDREOJR-LJJJVGFQSA-N
MW607.83 g/mol
LogP12.98
Rot. Bonds7

About 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline

2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline (PubChem CID 164831877) has the molecular formula C46H33N and a molecular weight of 607.83 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
PubChem CID164831877
Molecular FormulaC46H33N
Molecular Weight607.83 g/mol
Exact Mass607.31
IUPAC Name2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccccc2)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C46H33N/c1-4-13-35(14-5-1)45-32-27-39(33-46(45)37-15-6-2-7-16-37)34-23-28-41(29-24-34)47(40-19-8-3-9-20-40)42-30-25-38(26-31-42)44-22-12-18-36-17-10-11-21-43(36)44/h1-33H/i23D,24D,25D,26D,28D,29D,30D,31D
InChIKeyPXHMPLVYDREOJR-LJJJVGFQSA-N
XLogP12.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.83
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 164831986
2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 171451005
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171452182
2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527971
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171452161
2,3,4,5-tetradeuterio-6-phenyl-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452655
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451381
2,3,5,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 171451662
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171452136
2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527032

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline (CID 164831877) is 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline is [2H]c1c([2H])c(N(c2ccccc2)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The InChIKey is PXHMPLVYDREOJR-LJJJVGFQSA-N. The full InChI is InChI=1S/C46H33N/c1-4-13-35(14-5-1)45-32-27-39(33-46(45)37-15-6-2-7-16-37)34-23-28-41(29-24-34)47(40-19-8-3-9-20-40)42-30-25-38(26-31-42)44-22-12-18-36-17-10-11-21-43(36)44/h1-33H/i23D,24D,25D,26D,28D,29D,30D,31D.
What are the key properties of 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline has a molecular weight of 607.83 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 164831877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).