4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline

C80H72N4O6 — CID 121285722

IUPAC4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline
SMILESCOc1ccc(N(C2=CC=C(c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)c(C)c3)CC2C)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C80H72N4O6/c1-55-53-61(17-51-79(55)83(71-35-47-77(89-7)48-36-71)69-23-13-59(14-24-69)57-9-19-63(20-10-57)81(65-27-39-73(85-3)40-28-65)66-29-41-74(86-4)42-30-66)62-18-52-80(56(2)54-62)84(72-37-49-78(90-8)50-38-72)70-25-15-60(16-26-70)58-11-21-64(22-12-58)82(67-31-43-75(87-5)44-32-67)68-33-45-76(88-6)46-34-68/h9-53,56H,54H2,1-8H3
InChIKeyOZNJDGLCDHVGFT-UHFFFAOYSA-N
MW1185.48 g/mol
LogP20.94
Rot. Bonds21

About 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline

4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline (PubChem CID 121285722) has the molecular formula C80H72N4O6 and a molecular weight of 1185.48 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline.

Molecular Properties

Compound Name4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline
PubChem CID121285722
Molecular FormulaC80H72N4O6
Molecular Weight1185.48 g/mol
Exact Mass1184.55
IUPAC Name4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline
SMILESCOc1ccc(N(C2=CC=C(c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)c(C)c3)CC2C)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C80H72N4O6/c1-55-53-61(17-51-79(55)83(71-35-47-77(89-7)48-36-71)69-23-13-59(14-24-69)57-9-19-63(20-10-57)81(65-27-39-73(85-3)40-28-65)66-29-41-74(86-4)42-30-66)62-18-52-80(56(2)54-62)84(72-37-49-78(90-8)50-38-72)70-25-15-60(16-26-70)58-11-21-64(22-12-58)82(67-31-43-75(87-5)44-32-67)68-33-45-76(88-6)46-34-68/h9-53,56H,54H2,1-8H3
InChIKeyOZNJDGLCDHVGFT-UHFFFAOYSA-N
XLogP20.94
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.48
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline with MolForge

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Related Compounds

4-[4-(N-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 163486096
4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 130242347
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
[4-(N-[4-[4-[4-(N-(4-methoxy-2-methylphenyl)-4-phenylanilino)phenyl]phenyl]phenyl]-4-phenylanilino)-3-methylphenoxy]methanetriamine
CID 70938513
N-[4-[2-[4-[2-[4-(N-(2,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline
CID 58177550
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
N-[4-[4-(N-(4-cyclohexa-1,3,4,5-tetraen-1-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145268750
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
CID 122449104
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline?
The IUPAC name of 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline (CID 121285722) is 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline.
What is the SMILES notation for 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline?
The canonical SMILES for 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline is COc1ccc(N(C2=CC=C(c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)c(C)c3)CC2C)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline?
The InChIKey is OZNJDGLCDHVGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H72N4O6/c1-55-53-61(17-51-79(55)83(71-35-47-77(89-7)48-36-71)69-23-13-59(14-24-69)57-9-19-63(20-10-57)81(65-27-39-73(85-3)40-28-65)66-29-41-74(86-4)42-30-66)62-18-52-80(56(2)54-62)84(72-37-49-78(90-8)50-38-72)70-25-15-60(16-26-70)58-11-21-64(22-12-58)82(67-31-43-75(87-5)44-32-67)68-33-45-76(88-6)46-34-68/h9-53,56H,54H2,1-8H3.
What are the key properties of 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline?
4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline has a molecular weight of 1185.48 g/mol, XLogP of 20.94, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-5-methylcyclohexa-1,3-dien-1-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-2-methylaniline is sourced from PubChem (CID 121285722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).