2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline

C43H34N2 — CID 163706220

IUPAC2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C43H34N2/c1-33-17-27-41(28-18-33)45(40-15-9-4-10-16-40)43-31-25-37(26-32-43)35-21-19-34(20-22-35)36-23-29-42(30-24-36)44(38-11-5-2-6-12-38)39-13-7-3-8-14-39/h2-32H,1H3/i19D,20D,21D,22D,23D,24D,29D,30D
InChIKeyCYLJHXFIJJXMLN-WPHPVWHDSA-N
MW586.81 g/mol
LogP12.27
Rot. Bonds8

About 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline

2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 163706220) has the molecular formula C43H34N2 and a molecular weight of 586.81 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID163706220
Molecular FormulaC43H34N2
Molecular Weight586.81 g/mol
Exact Mass586.32
IUPAC Name2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C43H34N2/c1-33-17-27-41(28-18-33)45(40-15-9-4-10-16-40)43-31-25-37(26-32-43)35-21-19-34(20-22-35)36-23-29-42(30-24-36)44(38-11-5-2-6-12-38)39-13-7-3-8-14-39/h2-32H,1H3/i19D,20D,21D,22D,23D,24D,29D,30D
InChIKeyCYLJHXFIJJXMLN-WPHPVWHDSA-N
XLogP12.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.81
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
CID 174505698
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline (CID 163706220) is 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline is [2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is CYLJHXFIJJXMLN-WPHPVWHDSA-N. The full InChI is InChI=1S/C43H34N2/c1-33-17-27-41(28-18-33)45(40-15-9-4-10-16-40)43-31-25-37(26-32-43)35-21-19-34(20-22-35)36-23-29-42(30-24-36)44(38-11-5-2-6-12-38)39-13-7-3-8-14-39/h2-32H,1H3/i19D,20D,21D,22D,23D,24D,29D,30D.
What are the key properties of 2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 586.81 g/mol, XLogP of 12.27, 8 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-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 163706220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).