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

C50H33NO — CID 171452364

IUPAC2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4ccccc34)cc2)c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc2ccccc2c1
InChIInChI=1S/C50H33NO/c1-2-11-39-33-40(20-19-34(39)9-1)35-21-27-41(28-22-35)51(42-29-23-37(24-30-42)45-15-7-12-36-10-3-4-13-44(36)45)43-31-25-38(26-32-43)46-16-8-17-48-47-14-5-6-18-49(47)52-50(46)48/h1-33H/i21D,22D,25D,26D,27D,28D,31D,32D
InChIKeyHKUOSAFFJDVFMJ-XAVGCNBTSA-N
MW671.87 g/mol
LogP14.36
Rot. Bonds6

About 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

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 (PubChem CID 171452364) has the molecular formula C50H33NO and a molecular weight of 671.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
PubChem CID171452364
Molecular FormulaC50H33NO
Molecular Weight671.87 g/mol
Exact Mass671.31
IUPAC Name2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4ccccc34)cc2)c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc2ccccc2c1
InChIInChI=1S/C50H33NO/c1-2-11-39-33-40(20-19-34(39)9-1)35-21-27-41(28-22-35)51(42-29-23-37(24-30-42)45-15-7-12-36-10-3-4-13-44(36)45)43-31-25-38(26-32-43)46-16-8-17-48-47-14-5-6-18-49(47)52-50(46)48/h1-33H/i21D,22D,25D,26D,27D,28D,31D,32D
InChIKeyHKUOSAFFJDVFMJ-XAVGCNBTSA-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 ≤ 500671.87
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-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-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
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 155119902
2,3,5,6-tetradeuterio-N-(2-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452589
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylaniline
CID 167331137
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(N(c2ccc(-c3cccc4ccccc34)cc2)c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc2ccccc2c1.
What is the InChIKey of 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?
The InChIKey is HKUOSAFFJDVFMJ-XAVGCNBTSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-11-39-33-40(20-19-34(39)9-1)35-21-27-41(28-22-35)51(42-29-23-37(24-30-42)45-15-7-12-36-10-3-4-13-44(36)45)43-31-25-38(26-32-43)46-16-8-17-48-47-14-5-6-18-49(47)52-50(46)48/h1-33H/i21D,22D,25D,26D,27D,28D,31D,32D.
What are the key properties of 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?
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 has a molecular weight of 671.87 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-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)aniline is sourced from PubChem (CID 171452364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).