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

C60H41N — CID 172527082

IUPAC2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c2c([2H])c([2H])c(-c3ccc4ccccc4c3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H41N/c1-2-12-48(13-3-1)59-39-32-49-14-8-9-17-58(49)60(59)50-30-37-57(38-31-50)61(56-35-28-47(29-36-56)54-25-23-43-11-5-7-16-52(43)41-54)55-33-26-45(27-34-55)44-18-20-46(21-19-44)53-24-22-42-10-4-6-15-51(42)40-53/h1-41H/i26D,27D,28D,29D,33D,34D,35D,36D
InChIKeyIKLYWJOYHDKYCH-WDIXSFBVSA-N
MW784.04 g/mol
LogP16.95
Rot. Bonds8

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

2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline (PubChem CID 172527082) has the molecular formula C60H41N and a molecular weight of 784.04 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline
PubChem CID172527082
Molecular FormulaC60H41N
Molecular Weight784.04 g/mol
Exact Mass783.37
IUPAC Name2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c2c([2H])c([2H])c(-c3ccc4ccccc4c3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H41N/c1-2-12-48(13-3-1)59-39-32-49-14-8-9-17-58(49)60(59)50-30-37-57(38-31-50)61(56-35-28-47(29-36-56)54-25-23-43-11-5-7-16-52(43)41-54)55-33-26-45(27-34-55)44-18-20-46(21-19-44)53-24-22-42-10-4-6-15-51(42)40-53/h1-41H/i26D,27D,28D,29D,33D,34D,35D,36D
InChIKeyIKLYWJOYHDKYCH-WDIXSFBVSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.04
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline with MolForge

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Related Compounds

2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527560
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527741
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527288
2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526883
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-4-(1-phenylnaphthalen-2-yl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 172526902
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527207
2,3,5,6-tetradeuterio-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)aniline
CID 172527858
2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527229
2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527554
2,3,5,6-tetradeuterio-N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527065
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
2,3,5,6-tetradeuterio-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenyl-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526849

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline (CID 172527082) is 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c2c([2H])c([2H])c(-c3ccc4ccccc4c3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline?
The InChIKey is IKLYWJOYHDKYCH-WDIXSFBVSA-N. The full InChI is InChI=1S/C60H41N/c1-2-12-48(13-3-1)59-39-32-49-14-8-9-17-58(49)60(59)50-30-37-57(38-31-50)61(56-35-28-47(29-36-56)54-25-23-43-11-5-7-16-52(43)41-54)55-33-26-45(27-34-55)44-18-20-46(21-19-44)53-24-22-42-10-4-6-15-51(42)40-53/h1-41H/i26D,27D,28D,29D,33D,34D,35D,36D.
What are the key properties of 2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline?
2,3,5,6-tetradeuterio-4-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline has a molecular weight of 784.04 g/mol, XLogP of 16.95, 8 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-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 172527082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).