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

C50H35N — CID 171450936

IUPAC2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1[2H]
InChIInChI=1S/C50H35N/c1-2-10-36(11-3-1)38-20-22-39(23-21-38)40-26-30-46(31-27-40)51(47-32-28-42(29-33-47)50-19-9-15-41-13-6-7-18-49(41)50)48-17-8-16-44(35-48)45-25-24-37-12-4-5-14-43(37)34-45/h1-35H/i8D,16D,17D,35D
InChIKeyGOYGTQINTLYERS-BAILGNDBSA-N
MW653.86 g/mol
LogP14.13
Rot. Bonds7

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

2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 171450936) has the molecular formula C50H35N and a molecular weight of 653.86 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID171450936
Molecular FormulaC50H35N
Molecular Weight653.86 g/mol
Exact Mass653.30
IUPAC Name2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1[2H]
InChIInChI=1S/C50H35N/c1-2-10-36(11-3-1)38-20-22-39(23-21-38)40-26-30-46(31-27-40)51(47-32-28-42(29-33-47)50-19-9-15-41-13-6-7-18-49(41)50)48-17-8-16-44(35-48)45-25-24-37-12-4-5-14-43(37)34-45/h1-35H/i8D,16D,17D,35D
InChIKeyGOYGTQINTLYERS-BAILGNDBSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.86
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452169
N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452805
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171452094
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171452941
N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452429
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451876
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 171451497
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527786
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-phenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171452597
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739514
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

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 171450936) is 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1[2H].
What is the InChIKey of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is GOYGTQINTLYERS-BAILGNDBSA-N. The full InChI is InChI=1S/C50H35N/c1-2-10-36(11-3-1)38-20-22-39(23-21-38)40-26-30-46(31-27-40)51(47-32-28-42(29-33-47)50-19-9-15-41-13-6-7-18-49(41)50)48-17-8-16-44(35-48)45-25-24-37-12-4-5-14-43(37)34-45/h1-35H/i8D,16D,17D,35D.
What are the key properties of 2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 653.86 g/mol, XLogP of 14.13, 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-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 171450936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).