2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline

C50H33NO — CID 171452702

IUPAC2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2ccccc12
InChIInChI=1S/C50H33NO/c1-3-14-42-34(10-1)12-7-17-44(42)36-22-28-39(29-23-36)51(40-30-24-37(25-31-40)45-18-8-13-35-11-2-4-15-43(35)45)41-32-26-38(27-33-41)46-19-9-20-48-47-16-5-6-21-49(47)52-50(46)48/h1-33H/i22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D
InChIKeyNQYRDPOHSLYZPG-LJVUNLHJSA-N
MW675.89 g/mol
LogP14.36
Rot. Bonds6

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

2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline (PubChem CID 171452702) has the molecular formula C50H33NO and a molecular weight of 675.89 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
PubChem CID171452702
Molecular FormulaC50H33NO
Molecular Weight675.89 g/mol
Exact Mass675.33
IUPAC Name2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2ccccc12
InChIInChI=1S/C50H33NO/c1-3-14-42-34(10-1)12-7-17-44(42)36-22-28-39(29-23-36)51(40-30-24-37(25-31-40)45-18-8-13-35-11-2-4-15-43(35)45)41-32-26-38(27-33-41)46-19-9-20-48-47-16-5-6-21-49(47)52-50(46)48/h1-33H/i22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D
InChIKeyNQYRDPOHSLYZPG-LJVUNLHJSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.89
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171452595
2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
CID 171452364
2,3,5,6-tetradeuterio-N-(2-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452589
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676895
N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170676838
N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737639
2,3,5,6-tetradeuterio-4-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164831777
N-(4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 162481227
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 155374408

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline (CID 171452702) is 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2ccccc12.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
The InChIKey is NQYRDPOHSLYZPG-LJVUNLHJSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-14-42-34(10-1)12-7-17-44(42)36-22-28-39(29-23-36)51(40-30-24-37(25-31-40)45-18-8-13-35-11-2-4-15-43(35)45)41-32-26-38(27-33-41)46-19-9-20-48-47-16-5-6-21-49(47)52-50(46)48/h1-33H/i22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D.
What are the key properties of 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline?
2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline has a molecular weight of 675.89 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 171452702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).