4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine

C172H178N4 — CID 161143033

IUPAC4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESCCC(CC)(c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(C)c(C)c(C)c(C)c5C)c4)c3)c3cccc4ccccc34)cc2)cc1)c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(C)c(C)c(C)c(C)c5C)c4)c3)c3cccc4ccccc34)cc2)cc1.CCCCCCc1ccc(N(c2ccc(CCCCCC)cc2)c2ccc(-c3ccc(C4(c5ccc(-c6ccc(N(c7ccc(CCCCCC)cc7)c7ccc(CCCCCC)cc7)cc6)cc5)CCCC4)cc3)cc2)cc1
InChIInChI=1S/C95H86N2.C77H92N2/c1-13-95(14-2,83-49-41-71(42-50-83)73-45-53-85(54-46-73)96(91-39-23-27-75-25-15-17-37-89(75)91)87-35-21-31-79(59-87)77-29-19-33-81(57-77)93-67(9)63(5)61(3)64(6)68(93)10)84-51-43-72(44-52-84)74-47-55-86(56-48-74)97(92-40-24-28-76-26-16-18-38-90(76)92)88-36-22-32-80(60-88)78-30-20-34-82(58-78)94-69(11)65(7)62(4)66(8)70(94)12;1-5-9-13-17-23-61-27-47-71(48-28-61)78(72-49-29-62(30-50-72)24-18-14-10-6-2)75-55-39-67(40-56-75)65-35-43-69(44-36-65)77(59-21-22-60-77)70-45-37-66(38-46-70)68-41-57-76(58-42-68)79(73-51-31-63(32-52-73)25-19-15-11-7-3)74-53-33-64(34-54-74)26-20-16-12-8-4/h15-60H,13-14H2,1-12H3;27-58H,5-26,59-60H2,1-4H3
InChIKeyUNRRVOHLDITXQF-UHFFFAOYSA-N
MW2301.34 g/mol
LogP50.44
Rot. Bonds46

About 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine

4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 161143033) has the molecular formula C172H178N4 and a molecular weight of 2301.34 g/mol. Its IUPAC name is 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine
PubChem CID161143033
Molecular FormulaC172H178N4
Molecular Weight2301.34 g/mol
Exact Mass2299.41
IUPAC Name4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESCCC(CC)(c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(C)c(C)c(C)c(C)c5C)c4)c3)c3cccc4ccccc34)cc2)cc1)c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(C)c(C)c(C)c(C)c5C)c4)c3)c3cccc4ccccc34)cc2)cc1.CCCCCCc1ccc(N(c2ccc(CCCCCC)cc2)c2ccc(-c3ccc(C4(c5ccc(-c6ccc(N(c7ccc(CCCCCC)cc7)c7ccc(CCCCCC)cc7)cc6)cc5)CCCC4)cc3)cc2)cc1
InChIInChI=1S/C95H86N2.C77H92N2/c1-13-95(14-2,83-49-41-71(42-50-83)73-45-53-85(54-46-73)96(91-39-23-27-75-25-15-17-37-89(75)91)87-35-21-31-79(59-87)77-29-19-33-81(57-77)93-67(9)63(5)61(3)64(6)68(93)10)84-51-43-72(44-52-84)74-47-55-86(56-48-74)97(92-40-24-28-76-26-16-18-38-90(76)92)88-36-22-32-80(60-88)78-30-20-34-82(58-78)94-69(11)65(7)62(4)66(8)70(94)12;1-5-9-13-17-23-61-27-47-71(48-28-61)78(72-49-29-62(30-50-72)24-18-14-10-6-2)75-55-39-67(40-56-75)65-35-43-69(44-36-65)77(59-21-22-60-77)70-45-37-66(38-46-70)68-41-57-76(58-42-68)79(73-51-31-63(32-52-73)25-19-15-11-7-3)74-53-33-64(34-54-74)26-20-16-12-8-4/h15-60H,13-14H2,1-12H3;27-58H,5-26,59-60H2,1-4H3
InChIKeyUNRRVOHLDITXQF-UHFFFAOYSA-N
XLogP50.44
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds46
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002301.34
LogP ≤ 550.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine with MolForge

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Related Compounds

4-octyl-N-[4-[1-[4-(N-(4-octylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800970
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
4-N,4-N-bis[4-(4-butylphenyl)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;4-N,4-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;2-N,6-N-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-ylnaphthalene-2,6-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylphenanthrene-2,7-diamine;4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-methyl-N-(4-methylphenyl)-N-[4-(6-phenanthren-2-ylnaphthalen-2-yl)phenyl]aniline
CID 162053979
4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
CID 164800977
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
CID 59480577
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 158613408
N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 71079801
6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 88559543
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine (CID 161143033) is 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine is CCC(CC)(c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(C)c(C)c(C)c(C)c5C)c4)c3)c3cccc4ccccc34)cc2)cc1)c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(C)c(C)c(C)c(C)c5C)c4)c3)c3cccc4ccccc34)cc2)cc1.CCCCCCc1ccc(N(c2ccc(CCCCCC)cc2)c2ccc(-c3ccc(C4(c5ccc(-c6ccc(N(c7ccc(CCCCCC)cc7)c7ccc(CCCCCC)cc7)cc6)cc5)CCCC4)cc3)cc2)cc1.
What is the InChIKey of 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is UNRRVOHLDITXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H86N2.C77H92N2/c1-13-95(14-2,83-49-41-71(42-50-83)73-45-53-85(54-46-73)96(91-39-23-27-75-25-15-17-37-89(75)91)87-35-21-31-79(59-87)77-29-19-33-81(57-77)93-67(9)63(5)61(3)64(6)68(93)10)84-51-43-72(44-52-84)74-47-55-86(56-48-74)97(92-40-24-28-76-26-16-18-38-90(76)92)88-36-22-32-80(60-88)78-30-20-34-82(58-78)94-69(11)65(7)62(4)66(8)70(94)12;1-5-9-13-17-23-61-27-47-71(48-28-61)78(72-49-29-62(30-50-72)24-18-14-10-6-2)75-55-39-67(40-56-75)65-35-43-69(44-36-65)77(59-21-22-60-77)70-45-37-66(38-46-70)68-41-57-76(58-42-68)79(73-51-31-63(32-52-73)25-19-15-11-7-3)74-53-33-64(34-54-74)26-20-16-12-8-4/h15-60H,13-14H2,1-12H3;27-58H,5-26,59-60H2,1-4H3.
What are the key properties of 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine?
4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 2301.34 g/mol, XLogP of 50.44, 46 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N-[4-[4-[1-[4-[4-(4-hexyl-N-(4-hexylphenyl)anilino)phenyl]phenyl]cyclopentyl]phenyl]phenyl]-N-(4-hexylphenyl)aniline;N-[4-[4-[3-[4-[4-[N-naphthalen-1-yl-3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]anilino]phenyl]phenyl]pentan-3-yl]phenyl]phenyl]-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 161143033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).