4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline

C289H215F3N12 — CID 161492645

IUPAC4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline
SMILES[2H]c1c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c([2H])c([2H])c1-c1c([2H])c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccc(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])cc4)cc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c(-c5ccccc5)c([2H])c4[2H])cc3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(F)(F)F)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc([2H])cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H35F3N2.5C48H36N2/c50-49(51,52)42-24-34-48(35-25-42)54(46-28-18-39(19-29-46)37-12-6-2-7-13-37)47-32-22-41(23-33-47)40-20-30-45(31-21-40)53(43-14-8-3-9-15-43)44-26-16-38(17-27-44)36-10-4-1-5-11-36;5*1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-35H;5*1-36H/i3D,8D,9D,14D,15D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;3D,4D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;3D,4D,9D,10D,11D,12D,17D,18D,19D,20D;25D,26D,27D,28D,33D,34D,35D,36D;3D,4D
InChIKeyWFUWLJCZKLZIMC-BIJLMQGXSA-N
MW3984.41 g/mol
LogP82.78
Rot. Bonds54

About 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline

4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline (PubChem CID 161492645) has the molecular formula C289H215F3N12 and a molecular weight of 3984.41 g/mol. Its IUPAC name is 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline.

Molecular Properties

Compound Name4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline
PubChem CID161492645
Molecular FormulaC289H215F3N12
Molecular Weight3984.41 g/mol
Exact Mass3981.16
IUPAC Name4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline
SMILES[2H]c1c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c([2H])c([2H])c1-c1c([2H])c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccc(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])cc4)cc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c(-c5ccccc5)c([2H])c4[2H])cc3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(F)(F)F)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc([2H])cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H35F3N2.5C48H36N2/c50-49(51,52)42-24-34-48(35-25-42)54(46-28-18-39(19-29-46)37-12-6-2-7-13-37)47-32-22-41(23-33-47)40-20-30-45(31-21-40)53(43-14-8-3-9-15-43)44-26-16-38(17-27-44)36-10-4-1-5-11-36;5*1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-35H;5*1-36H/i3D,8D,9D,14D,15D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;3D,4D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;3D,4D,9D,10D,11D,12D,17D,18D,19D,20D;25D,26D,27D,28D,33D,34D,35D,36D;3D,4D
InChIKeyWFUWLJCZKLZIMC-BIJLMQGXSA-N
XLogP82.78
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds54
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003984.41
LogP ≤ 582.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline with MolForge

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Related Compounds

2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline
CID 89183809
2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]phenyl]phenyl]-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]aniline
CID 162012615
2,3,4,5,6-pentadeuterio-N-[4-[3-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121295016
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452428
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451790
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171451879
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
1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
CID 59222073
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451203
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163737553
2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452863

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
The IUPAC name of 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline (CID 161492645) is 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline.
What is the SMILES notation for 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
The canonical SMILES for 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline is [2H]c1c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c([2H])c([2H])c1-c1c([2H])c([2H])c(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4ccc(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])cc4)cc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c(-c5ccccc5)c([2H])c4[2H])cc3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(F)(F)F)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc([2H])cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
The InChIKey is WFUWLJCZKLZIMC-BIJLMQGXSA-N. The full InChI is InChI=1S/C49H35F3N2.5C48H36N2/c50-49(51,52)42-24-34-48(35-25-42)54(46-28-18-39(19-29-46)37-12-6-2-7-13-37)47-32-22-41(23-33-47)40-20-30-45(31-21-40)53(43-14-8-3-9-15-43)44-26-16-38(17-27-44)36-10-4-1-5-11-36;5*1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-35H;5*1-36H/i3D,8D,9D,14D,15D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;3D,4D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;3D,4D,9D,10D,11D,12D,17D,18D,19D,20D;25D,26D,27D,28D,33D,34D,35D,36D;3D,4D.
What are the key properties of 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline has a molecular weight of 3984.41 g/mol, XLogP of 82.78, 54 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-N-[4-[4-(4-deuterio-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]aniline is sourced from PubChem (CID 161492645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).