4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline

C84H95N5 — CID 101478316

IUPAC4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(CNCc2ccc(CCc3ccc(CNCc4ccc(CCc5ccc(Nc6ccc(CCc7ccc(CNCc8ccc(CCc9ccc(CNCc%10ccc(C(C)(C)C)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H95N5/c1-83(2,3)79-47-39-77(40-48-79)61-87-59-75-31-19-65(20-32-75)9-7-63-15-27-71(28-16-63)55-85-57-73-35-23-67(24-36-73)11-13-69-43-51-81(52-44-69)89-82-53-45-70(46-54-82)14-12-68-25-37-74(38-26-68)58-86-56-72-29-17-64(18-30-72)8-10-66-21-33-76(34-22-66)60-88-62-78-41-49-80(50-42-78)84(4,5)6/h15-54,85-89H,7-14,55-62H2,1-6H3
InChIKeyLOIJYRCOVSSIDI-UHFFFAOYSA-N
MW1174.72 g/mol
LogP18.33
Rot. Bonds30

About 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline

4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline (PubChem CID 101478316) has the molecular formula C84H95N5 and a molecular weight of 1174.72 g/mol. Its IUPAC name is 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline
PubChem CID101478316
Molecular FormulaC84H95N5
Molecular Weight1174.72 g/mol
Exact Mass1173.76
IUPAC Name4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(CNCc2ccc(CCc3ccc(CNCc4ccc(CCc5ccc(Nc6ccc(CCc7ccc(CNCc8ccc(CCc9ccc(CNCc%10ccc(C(C)(C)C)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H95N5/c1-83(2,3)79-47-39-77(40-48-79)61-87-59-75-31-19-65(20-32-75)9-7-63-15-27-71(28-16-63)55-85-57-73-35-23-67(24-36-73)11-13-69-43-51-81(52-44-69)89-82-53-45-70(46-54-82)14-12-68-25-37-74(38-26-68)58-86-56-72-29-17-64(18-30-72)8-10-66-21-33-76(34-22-66)60-88-62-78-41-49-80(50-42-78)84(4,5)6/h15-54,85-89H,7-14,55-62H2,1-6H3
InChIKeyLOIJYRCOVSSIDI-UHFFFAOYSA-N
XLogP18.33
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.72
LogP ≤ 518.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline with MolForge

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Related Compounds

4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
alpha,alpha'-Dianilino-p-xylene
CID 607368
N,N'-Diphenylbenzidine
CID 68280
alpha,Alphapr-(4-ethylanilino)-P-xylene
CID 328731
4-methyl-N-[4-(4-toluidinomethyl)benzyl]aniline
CID 3313778
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(3-methylphenyl)-N4,N4'-diphenyl-
CID 103315
US9205085, Msx-174
CID 3098264
N,N'-bis[[4-(N-phenylanilino)phenyl]methyl]butane-1,4-diamine
CID 9916783
1,4-Bis-(1-anilinoethyl) benzene
CID 22163152
US9205085, Msx-172
CID 23656445
US9205085, Msx-175
CID 23656600

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline?
The IUPAC name of 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline (CID 101478316) is 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline.
What is the SMILES notation for 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline?
The canonical SMILES for 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline is CC(C)(C)c1ccc(CNCc2ccc(CCc3ccc(CNCc4ccc(CCc5ccc(Nc6ccc(CCc7ccc(CNCc8ccc(CCc9ccc(CNCc%10ccc(C(C)(C)C)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline?
The InChIKey is LOIJYRCOVSSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H95N5/c1-83(2,3)79-47-39-77(40-48-79)61-87-59-75-31-19-65(20-32-75)9-7-63-15-27-71(28-16-63)55-85-57-73-35-23-67(24-36-73)11-13-69-43-51-81(52-44-69)89-82-53-45-70(46-54-82)14-12-68-25-37-74(38-26-68)58-86-56-72-29-17-64(18-30-72)8-10-66-21-33-76(34-22-66)60-88-62-78-41-49-80(50-42-78)84(4,5)6/h15-54,85-89H,7-14,55-62H2,1-6H3.
What are the key properties of 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline?
4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline has a molecular weight of 1174.72 g/mol, XLogP of 18.33, 30 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline is sourced from PubChem (CID 101478316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).