N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C81H72N4O4 — CID 161292893

IUPACN-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)(c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C81H72N4O4/c1-57-9-25-65(26-10-57)82(66-27-11-58(2)12-28-66)69-33-17-61(18-34-69)81(62-19-35-70(36-20-62)83(67-29-13-59(3)14-30-67)73-41-49-77(86-5)50-42-73,63-21-37-71(38-22-63)84(68-31-15-60(4)16-32-68)74-43-51-78(87-6)52-44-74)64-23-39-72(40-24-64)85(75-45-53-79(88-7)54-46-75)76-47-55-80(89-8)56-48-76/h9-56H,1-8H3
InChIKeyKAPACYHJWMIQKT-UHFFFAOYSA-N
MW1165.49 g/mol
LogP21.22
Rot. Bonds20

About N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 161292893) has the molecular formula C81H72N4O4 and a molecular weight of 1165.49 g/mol. Its IUPAC name is N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID161292893
Molecular FormulaC81H72N4O4
Molecular Weight1165.49 g/mol
Exact Mass1164.56
IUPAC NameN-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)(c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C81H72N4O4/c1-57-9-25-65(26-10-57)82(66-27-11-58(2)12-28-66)69-33-17-61(18-34-69)81(62-19-35-70(36-20-62)83(67-29-13-59(3)14-30-67)73-41-49-77(86-5)50-42-73,63-21-37-71(38-22-63)84(68-31-15-60(4)16-32-68)74-43-51-78(87-6)52-44-74)64-23-39-72(40-24-64)85(75-45-53-79(88-7)54-46-75)76-47-55-80(89-8)56-48-76/h9-56H,1-8H3
InChIKeyKAPACYHJWMIQKT-UHFFFAOYSA-N
XLogP21.22
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.49
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 23069933
N'-ethyl-N-[4-[[4-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]phenyl]methyl]phenyl]-N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 11181553
N'-ethyl-N-[4-[4-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]phenyl]phenyl]-N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 11204682
(2R,3S)-4-benzyl-1-(4-methoxyphenyl)-3-methyl-2-[(4-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine
CID 53383662
N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine
CID 23517938
N-[4-(4-{[(4-methoxyanilino)carbonyl]amino}benzyl)phenyl]-N'-(4-methoxyphenyl)urea
CID 989041
N'-ethyl-N-[4-[2-[4-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]phenyl]ethyl]phenyl]-N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 11434003
N-[(2-methoxyphenyl)methyl]-N'-[4-[4-[6-[(2-methoxyphenyl)methylamino]hexylamino]phenyl]phenyl]hexane-1,6-diamine
CID 44428747
4-tert-butyl-N-(4-phenoxyphenyl)aniline
CID 145976198
1-N,1-N,4-N,4-N-tetrakis[(3-methoxyphenyl)methyl]benzene-1,4-diamine
CID 145981164
N~2~,N~2~,N~2'~,N~2'~,N~7~,N~7~,N~7'~,N~7'~-Octakis(4-methoxyphenyl)-9,9'-spirobi(fluorene)-2,2',7,7'-tetramine
CID 16161850

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 161292893) is N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is COc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)(c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is KAPACYHJWMIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H72N4O4/c1-57-9-25-65(26-10-57)82(66-27-11-58(2)12-28-66)69-33-17-61(18-34-69)81(62-19-35-70(36-20-62)83(67-29-13-59(3)14-30-67)73-41-49-77(86-5)50-42-73,63-21-37-71(38-22-63)84(68-31-15-60(4)16-32-68)74-43-51-78(87-6)52-44-74)64-23-39-72(40-24-64)85(75-45-53-79(88-7)54-46-75)76-47-55-80(89-8)56-48-76/h9-56H,1-8H3.
What are the key properties of N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1165.49 g/mol, XLogP of 21.22, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 161292893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).