4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline

C171H174N4 — CID 161215892

IUPAC4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline
SMILESCCC(C)c1ccc(N(C)c2ccc(-c3ccc(C(C)(C)c4ccc(-c5ccc(C(CC)(c6ccc(-c7ccc(C)cc7)cc6)c6ccc(-c7ccc(N(C)c8ccc(C(C)CC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.CCCCc1ccc(-c2cccc(N(C)c3ccc(-c4ccc(C(C)(C)c5ccc(C(C)(C)c6ccc(C(CC(C)C)(c7ccc(-c8ccc(C)cc8)cc7)c7ccc(-c8ccc(N(C)c9cccc(-c%10ccc(CCCC)cc%10)c9)cc8)cc7)cc6)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C94H96N2.C77H78N2/c1-12-14-18-69-26-32-77(33-27-69)79-20-16-22-90(64-79)95(10)88-60-42-75(43-61-88)72-36-46-81(47-37-72)92(6,7)82-52-54-83(55-53-82)93(8,9)84-56-58-87(59-57-84)94(66-67(3)4,85-48-38-73(39-49-85)71-30-24-68(5)25-31-71)86-50-40-74(41-51-86)76-44-62-89(63-45-76)96(11)91-23-17-21-80(65-91)78-34-28-70(29-35-78)19-15-13-2;1-11-55(5)57-28-46-72(47-29-57)78(9)74-50-32-65(33-51-74)61-20-38-68(39-21-61)76(7,8)67-36-18-60(19-37-67)63-24-42-70(43-25-63)77(13-3,69-40-22-62(23-41-69)59-16-14-54(4)15-17-59)71-44-26-64(27-45-71)66-34-52-75(53-35-66)79(10)73-48-30-58(31-49-73)56(6)12-2/h16-17,20-65,67H,12-15,18-19,66H2,1-11H3;14-53,55-56H,11-13H2,1-10H3
InChIKeyUWVYKOLGZDRQRY-UHFFFAOYSA-N
MW2285.30 g/mol
LogP46.88
Rot. Bonds42

About 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline

4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline (PubChem CID 161215892) has the molecular formula C171H174N4 and a molecular weight of 2285.30 g/mol. Its IUPAC name is 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline
PubChem CID161215892
Molecular FormulaC171H174N4
Molecular Weight2285.30 g/mol
Exact Mass2283.37
IUPAC Name4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline
SMILESCCC(C)c1ccc(N(C)c2ccc(-c3ccc(C(C)(C)c4ccc(-c5ccc(C(CC)(c6ccc(-c7ccc(C)cc7)cc6)c6ccc(-c7ccc(N(C)c8ccc(C(C)CC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.CCCCc1ccc(-c2cccc(N(C)c3ccc(-c4ccc(C(C)(C)c5ccc(C(C)(C)c6ccc(C(CC(C)C)(c7ccc(-c8ccc(C)cc8)cc7)c7ccc(-c8ccc(N(C)c9cccc(-c%10ccc(CCCC)cc%10)c9)cc8)cc7)cc6)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C94H96N2.C77H78N2/c1-12-14-18-69-26-32-77(33-27-69)79-20-16-22-90(64-79)95(10)88-60-42-75(43-61-88)72-36-46-81(47-37-72)92(6,7)82-52-54-83(55-53-82)93(8,9)84-56-58-87(59-57-84)94(66-67(3)4,85-48-38-73(39-49-85)71-30-24-68(5)25-31-71)86-50-40-74(41-51-86)76-44-62-89(63-45-76)96(11)91-23-17-21-80(65-91)78-34-28-70(29-35-78)19-15-13-2;1-11-55(5)57-28-46-72(47-29-57)78(9)74-50-32-65(33-51-74)61-20-38-68(39-21-61)76(7,8)67-36-18-60(19-37-67)63-24-42-70(43-25-63)77(13-3,69-40-22-62(23-41-69)59-16-14-54(4)15-17-59)71-44-26-64(27-45-71)66-34-52-75(53-35-66)79(10)73-48-30-58(31-49-73)56(6)12-2/h16-17,20-65,67H,12-15,18-19,66H2,1-11H3;14-53,55-56H,11-13H2,1-10H3
InChIKeyUWVYKOLGZDRQRY-UHFFFAOYSA-N
XLogP46.88
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002285.30
LogP ≤ 546.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline with MolForge

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Related Compounds

3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 163613245
1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline
CID 160674877
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
3-(4-dodecylphenyl)-N,N-dimethylaniline
CID 57074168
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;3-butyl-N-[4-[4-(N-(3-butylphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 123445678
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 157085046
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene
CID 123139231
2-N,6-N-bis(4-butan-2-ylphenyl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,6-N-bis(4-butylphenyl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,6-N-bis[4-(2-methylpropyl)phenyl]-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetraphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
CID 158037526

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline?
The IUPAC name of 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline (CID 161215892) is 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline.
What is the SMILES notation for 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline?
The canonical SMILES for 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline is CCC(C)c1ccc(N(C)c2ccc(-c3ccc(C(C)(C)c4ccc(-c5ccc(C(CC)(c6ccc(-c7ccc(C)cc7)cc6)c6ccc(-c7ccc(N(C)c8ccc(C(C)CC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.CCCCc1ccc(-c2cccc(N(C)c3ccc(-c4ccc(C(C)(C)c5ccc(C(C)(C)c6ccc(C(CC(C)C)(c7ccc(-c8ccc(C)cc8)cc7)c7ccc(-c8ccc(N(C)c9cccc(-c%10ccc(CCCC)cc%10)c9)cc8)cc7)cc6)cc5)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline?
The InChIKey is UWVYKOLGZDRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H96N2.C77H78N2/c1-12-14-18-69-26-32-77(33-27-69)79-20-16-22-90(64-79)95(10)88-60-42-75(43-61-88)72-36-46-81(47-37-72)92(6,7)82-52-54-83(55-53-82)93(8,9)84-56-58-87(59-57-84)94(66-67(3)4,85-48-38-73(39-49-85)71-30-24-68(5)25-31-71)86-50-40-74(41-51-86)76-44-62-89(63-45-76)96(11)91-23-17-21-80(65-91)78-34-28-70(29-35-78)19-15-13-2;1-11-55(5)57-28-46-72(47-29-57)78(9)74-50-32-65(33-51-74)61-20-38-68(39-21-61)76(7,8)67-36-18-60(19-37-67)63-24-42-70(43-25-63)77(13-3,69-40-22-62(23-41-69)59-16-14-54(4)15-17-59)71-44-26-64(27-45-71)66-34-52-75(53-35-66)79(10)73-48-30-58(31-49-73)56(6)12-2/h16-17,20-65,67H,12-15,18-19,66H2,1-11H3;14-53,55-56H,11-13H2,1-10H3.
What are the key properties of 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline?
4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline has a molecular weight of 2285.30 g/mol, XLogP of 46.88, 42 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline is sourced from PubChem (CID 161215892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).