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

C79H70N4O4 — CID 163678430

IUPACN-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline
SMILESCOc1ccc(N(C2=CCC(C)(c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)C=C2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C79H70N4O4/c1-56-8-22-63(23-9-56)80(70-36-44-75(84-4)45-37-70)65-26-12-58(13-27-65)60-16-30-67(31-17-60)82(72-40-48-77(86-6)49-41-72)69-34-20-62(21-35-69)79(3)54-52-74(53-55-79)83(73-42-50-78(87-7)51-43-73)68-32-18-61(19-33-68)59-14-28-66(29-15-59)81(64-24-10-57(2)11-25-64)71-38-46-76(85-5)47-39-71/h8-54H,55H2,1-7H3
InChIKeyJISOYOYAUQJYFS-UHFFFAOYSA-N
MW1139.45 g/mol
LogP21.02
Rot. Bonds19

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

N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline (PubChem CID 163678430) has the molecular formula C79H70N4O4 and a molecular weight of 1139.45 g/mol. Its IUPAC name is N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline.

Molecular Properties

Compound NameN-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline
PubChem CID163678430
Molecular FormulaC79H70N4O4
Molecular Weight1139.45 g/mol
Exact Mass1138.54
IUPAC NameN-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline
SMILESCOc1ccc(N(C2=CCC(C)(c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)C=C2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C79H70N4O4/c1-56-8-22-63(23-9-56)80(70-36-44-75(84-4)45-37-70)65-26-12-58(13-27-65)60-16-30-67(31-17-60)82(72-40-48-77(86-6)49-41-72)69-34-20-62(21-35-69)79(3)54-52-74(53-55-79)83(73-42-50-78(87-7)51-43-73)68-32-18-61(19-33-68)59-14-28-66(29-15-59)81(64-24-10-57(2)11-25-64)71-38-46-76(85-5)47-39-71/h8-54H,55H2,1-7H3
InChIKeyJISOYOYAUQJYFS-UHFFFAOYSA-N
XLogP21.02
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.45
LogP ≤ 521.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[3,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methoxyphenyl)aniline
CID 163637919
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-N-(4,6-dimethoxypyrimidin-2-yl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,1-N-bis(4-methoxyphenyl)cyclohexa-1,5-diene-1,4-diamine
CID 175943810
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
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
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-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline
CID 163905978
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline?
The IUPAC name of N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline (CID 163678430) is N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline.
What is the SMILES notation for N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline?
The canonical SMILES for N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline is COc1ccc(N(C2=CCC(C)(c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)C=C2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline?
The InChIKey is JISOYOYAUQJYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H70N4O4/c1-56-8-22-63(23-9-56)80(70-36-44-75(84-4)45-37-70)65-26-12-58(13-27-65)60-16-30-67(31-17-60)82(72-40-48-77(86-6)49-41-72)69-34-20-62(21-35-69)79(3)54-52-74(53-55-79)83(73-42-50-78(87-7)51-43-73)68-32-18-61(19-33-68)59-14-28-66(29-15-59)81(64-24-10-57(2)11-25-64)71-38-46-76(85-5)47-39-71/h8-54H,55H2,1-7H3.
What are the key properties of N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline?
N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline has a molecular weight of 1139.45 g/mol, XLogP of 21.02, 19 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-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline is sourced from PubChem (CID 163678430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).