2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline

C144H112N6 — CID 160604262

About 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline

2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline (PubChem CID 160604262) has the molecular formula C144H112N6 and a molecular weight of 1962.74 g/mol. Its IUPAC name is 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline
• PubChem CID: 160604262
• Molecular Formula: C144H112N6
• Molecular Weight: 1962.74 g/mol
• Exact Mass: 1961.12
• IUPAC Name: 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline
• SMILES: [2H]c1c([2H])c(N(c2ccccc2)c2ccc(/C(C=C)=C/C=C)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(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(/C(C=C)=C/C=C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H]
• InChI: InChI=1S/C48H36N2.2C48H38N2/c1-5-13-37(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;2*1-3-14-37(4-2)39-21-29-45(30-22-39)49(43-17-10-6-11-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-12-7-13-20-44)46-31-23-40(24-32-46)38-15-8-5-9-16-38/h1-36H;2*3-36H,1-2H2/b;2*37-14+/i3D,4D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;6D,7D,10D,11D,12D,13D,17D,18D,19D,20D;25D,26D,27D,28D,33D,34D,35D,36D
• InChIKey: RERBQXYDMGXFJX-GUPZVAKESA-N
• XLogP: 41.06
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 31
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1962.74
LogP ≤ 5	41.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline?

The IUPAC name of 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline (CID 160604262) is 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline.

What is the SMILES notation for 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline?

The canonical SMILES for 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline is [2H]c1c([2H])c(N(c2ccccc2)c2ccc(/C(C=C)=C/C=C)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(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(/C(C=C)=C/C=C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].

What is the InChIKey of 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline?

The InChIKey is RERBQXYDMGXFJX-GUPZVAKESA-N. The full InChI is InChI=1S/C48H36N2.2C48H38N2/c1-5-13-37(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;2*1-3-14-37(4-2)39-21-29-45(30-22-39)49(43-17-10-6-11-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-12-7-13-20-44)46-31-23-40(24-32-46)38-15-8-5-9-16-38/h1-36H;2*3-36H,1-2H2/b;2*37-14+/i3D,4D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D,29D,30D,31D,32D;6D,7D,10D,11D,12D,13D,17D,18D,19D,20D;25D,26D,27D,28D,33D,34D,35D,36D.

What are the key properties of 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline?

2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline has a molecular weight of 1962.74 g/mol, XLogP of 41.06, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]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-phenylphenyl)anilino)phenyl]phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-N-phenyl-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 160604262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).