4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline

C220H183F3N8O2 — CID 159809526

About 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline

4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline (PubChem CID 159809526) has the molecular formula C220H183F3N8O2 and a molecular weight of 3062.14 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
• PubChem CID: 159809526
• Molecular Formula: C220H183F3N8O2
• Molecular Weight: 3062.14 g/mol
• Exact Mass: 3059.66
• IUPAC Name: 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4cc(C)cc(-c5ccccn5)c4)cc3)c3ccc(-c4c([2H])c([2H])c(-c5ccc(N(c6ccc(-c7cc(-c8ccccn8)cc(C(F)(F)F)c7)cc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6)cc5)c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6cc(OC)cc(C7CCCCC7)c6)cc5)c5ccc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cc5)cc4)cc3)c3ccc(-c4cc(CO)cc(C5CCCCC5)c4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(C(C)(C)C)cc6)cc5)c5ccc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cc5)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)c([2H])c1[2H]
• InChI: InChI=1S/C78H55F3N4.C74H68N2O2.C68H60N2/c1-54-48-65(50-67(49-54)76-16-8-10-46-82-76)63-30-42-74(43-31-63)84(70-34-22-59(23-35-70)55-12-4-2-5-13-55)72-38-26-61(27-39-72)57-18-20-58(21-19-57)62-28-40-73(41-29-62)85(71-36-24-60(25-37-71)56-14-6-3-7-15-56)75-44-32-64(33-45-75)66-51-68(77-17-9-11-47-83-77)53-69(52-66)78(79,80)81;1-78-74-50-66(57-20-12-5-13-21-57)49-67(51-74)63-32-44-73(45-33-63)76(69-36-24-59(25-37-69)55-16-8-3-9-17-55)71-40-28-61(29-41-71)60-26-38-70(39-27-60)75(68-34-22-58(23-35-68)54-14-6-2-7-15-54)72-42-30-62(31-43-72)65-47-53(52-77)46-64(48-65)56-18-10-4-11-19-56;1-67(2,3)59-33-17-51(18-34-59)55-25-41-63(42-26-55)69(61-37-21-53(22-38-61)49-13-9-7-10-14-49)65-45-29-57(30-46-65)58-31-47-66(48-32-58)70(62-39-23-54(24-40-62)50-15-11-8-12-16-50)64-43-27-56(28-44-64)52-19-35-60(36-20-52)68(4,5)6/h2-53H,1H3;2-3,6-9,14-17,22-51,56-57,77H,4-5,10-13,18-21,52H2,1H3;7-48H,1-6H3/i2D,3D,4D,5D,6D,7D,12D,13D,14D,15D,18D,19D,20D,21D;2D,3D,6D,7D,8D,9D,14D,15D,16D,17D;7D,8D,9D,10D,11D,12D,13D,14D,15D,16D
• InChIKey: NKVOXIAIFRQWPN-NPBYOBOPSA-N
• XLogP: 62.19
• TPSA: 74.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 40
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3062.14
LogP ≤ 5	62.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline?

The IUPAC name of 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline (CID 159809526) is 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline.

What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline?

The canonical SMILES for 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4cc(C)cc(-c5ccccn5)c4)cc3)c3ccc(-c4c([2H])c([2H])c(-c5ccc(N(c6ccc(-c7cc(-c8ccccn8)cc(C(F)(F)F)c7)cc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6)cc5)c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6cc(OC)cc(C7CCCCC7)c6)cc5)c5ccc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cc5)cc4)cc3)c3ccc(-c4cc(CO)cc(C5CCCCC5)c4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(C(C)(C)C)cc6)cc5)c5ccc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cc5)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)c([2H])c1[2H].

What is the InChIKey of 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline?

The InChIKey is NKVOXIAIFRQWPN-NPBYOBOPSA-N. The full InChI is InChI=1S/C78H55F3N4.C74H68N2O2.C68H60N2/c1-54-48-65(50-67(49-54)76-16-8-10-46-82-76)63-30-42-74(43-31-63)84(70-34-22-59(23-35-70)55-12-4-2-5-13-55)72-38-26-61(27-39-72)57-18-20-58(21-19-57)62-28-40-73(41-29-62)85(71-36-24-60(25-37-71)56-14-6-3-7-15-56)75-44-32-64(33-45-75)66-51-68(77-17-9-11-47-83-77)53-69(52-66)78(79,80)81;1-78-74-50-66(57-20-12-5-13-21-57)49-67(51-74)63-32-44-73(45-33-63)76(69-36-24-59(25-37-69)55-16-8-3-9-17-55)71-40-28-61(29-41-71)60-26-38-70(39-27-60)75(68-34-22-58(23-35-68)54-14-6-2-7-15-54)72-42-30-62(31-43-72)65-47-53(52-77)46-64(48-65)56-18-10-4-11-19-56;1-67(2,3)59-33-17-51(18-34-59)55-25-41-63(42-26-55)69(61-37-21-53(22-38-61)49-13-9-7-10-14-49)65-45-29-57(30-46-65)58-31-47-66(48-32-58)70(62-39-23-54(24-40-62)50-15-11-8-12-16-50)64-43-27-56(28-44-64)52-19-35-60(36-20-52)68(4,5)6/h2-53H,1H3;2-3,6-9,14-17,22-51,56-57,77H,4-5,10-13,18-21,52H2,1H3;7-48H,1-6H3/i2D,3D,4D,5D,6D,7D,12D,13D,14D,15D,18D,19D,20D,21D;2D,3D,6D,7D,8D,9D,14D,15D,16D,17D;7D,8D,9D,10D,11D,12D,13D,14D,15D,16D.

What are the key properties of 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline?

4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline has a molecular weight of 3062.14 g/mol, XLogP of 62.19, 40 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylphenyl)-N-[4-[4-[4-(4-tert-butylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;[3-cyclohexyl-5-[4-[4-[4-[4-(3-cyclohexyl-5-methoxyphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino]phenyl]phenyl]methanol;4-(3-methyl-5-pyridin-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-[2,3,5,6-tetradeuterio-4-[4-[N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 159809526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).