N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline

C90H96N2 — CID 171457404

IUPACN-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
SMILESCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1C
InChIInChI=1S/C90H96N2/c1-13-15-17-19-21-75-61-88(86-58-56-84(60-66(86)6)92(80-49-37-72(38-50-80)68-29-25-64(4)26-30-68)82-53-41-74(42-54-82)70-33-45-78(46-34-70)90(10,11)12)76(22-20-18-16-14-2)62-87(75)85-57-55-83(59-65(85)5)91(79-47-35-71(36-48-79)67-27-23-63(3)24-28-67)81-51-39-73(40-52-81)69-31-43-77(44-32-69)89(7,8)9/h23-62H,13-22H2,1-12H3
InChIKeyJLFUMUQMMWHYHY-UHFFFAOYSA-N
MW1205.77 g/mol
LogP26.70
Rot. Bonds22

About N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline

N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline (PubChem CID 171457404) has the molecular formula C90H96N2 and a molecular weight of 1205.77 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
PubChem CID171457404
Molecular FormulaC90H96N2
Molecular Weight1205.77 g/mol
Exact Mass1204.76
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
SMILESCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1C
InChIInChI=1S/C90H96N2/c1-13-15-17-19-21-75-61-88(86-58-56-84(60-66(86)6)92(80-49-37-72(38-50-80)68-29-25-64(4)26-30-68)82-53-41-74(42-54-82)70-33-45-78(46-34-70)90(10,11)12)76(22-20-18-16-14-2)62-87(75)85-57-55-83(59-65(85)5)91(79-47-35-71(36-48-79)67-27-23-63(3)24-28-67)81-51-39-73(40-52-81)69-31-43-77(44-32-69)89(7,8)9/h23-62H,13-22H2,1-12H3
InChIKeyJLFUMUQMMWHYHY-UHFFFAOYSA-N
XLogP26.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.77
LogP ≤ 526.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline with MolForge

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Related Compounds

3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 177093097
N-[4-(4-bromophenyl)phenyl]-4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]anilino]phenyl]phenyl]-3-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 175621549
1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 161089163
4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
CID 157408335
2,5-dihexyl-4-[3-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]-N-(3-methyl-4-phenylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 167382558
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
4-[2,5-dihexyl-4-[2-methyl-4-[N-[4-[4-(3-oxo-1,4-dihydro-2,3λ4-benzoxathiin-6-yl)phenyl]phenyl]-4-(4-propylphenyl)anilino]phenyl]phenyl]-3-methyl-N-[4-[4-(3-oxo-1,4-dihydro-2,3λ4-benzoxathiin-6-yl)phenyl]phenyl]-N-[4-(4-propylphenyl)phenyl]aniline
CID 122630668
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
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
1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
CID 159383327

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline (CID 171457404) is N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline is CCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1C.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
The InChIKey is JLFUMUQMMWHYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H96N2/c1-13-15-17-19-21-75-61-88(86-58-56-84(60-66(86)6)92(80-49-37-72(38-50-80)68-29-25-64(4)26-30-68)82-53-41-74(42-54-82)70-33-45-78(46-34-70)90(10,11)12)76(22-20-18-16-14-2)62-87(75)85-57-55-83(59-65(85)5)91(79-47-35-71(36-48-79)67-27-23-63(3)24-28-67)81-51-39-73(40-52-81)69-31-43-77(44-32-69)89(7,8)9/h23-62H,13-22H2,1-12H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline has a molecular weight of 1205.77 g/mol, XLogP of 26.70, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline is sourced from PubChem (CID 171457404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).