N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline

C81H75N3O4 — CID 123317233

IUPACN-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESCOc1ccc(CCC(C2=CCC(C)C=C2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(C8=CCC(C)C=C8)c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C81H75N3O4/c1-57-7-14-66(15-8-57)81(56-13-59-11-48-77(85-3)49-12-59)67-18-16-60(17-19-67)61-20-32-70(33-21-61)83(75-44-52-79(87-5)53-45-75)71-36-26-64(27-37-71)65-28-40-73(41-29-65)84(76-46-54-80(88-6)55-47-76)72-38-24-63(25-39-72)62-22-34-69(35-23-62)82(68-30-9-58(2)10-31-68)74-42-50-78(86-4)51-43-74/h7,9,11-12,14-55,57-58,81H,8,10,13,56H2,1-6H3
InChIKeyXPHWROXUOFBMBY-UHFFFAOYSA-N
MW1154.51 g/mol
LogP21.52
Rot. Bonds21

About N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline

N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 123317233) has the molecular formula C81H75N3O4 and a molecular weight of 1154.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID123317233
Molecular FormulaC81H75N3O4
Molecular Weight1154.51 g/mol
Exact Mass1153.58
IUPAC NameN-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESCOc1ccc(CCC(C2=CCC(C)C=C2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(C8=CCC(C)C=C8)c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C81H75N3O4/c1-57-7-14-66(15-8-57)81(56-13-59-11-48-77(85-3)49-12-59)67-18-16-60(17-19-67)61-20-32-70(33-21-61)83(75-44-52-79(87-5)53-45-75)71-36-26-64(27-37-71)65-28-40-73(41-29-65)84(76-46-54-80(88-6)55-47-76)72-38-24-63(25-39-72)62-22-34-69(35-23-62)82(68-30-9-58(2)10-31-68)74-42-50-78(86-4)51-43-74/h7,9,11-12,14-55,57-58,81H,8,10,13,56H2,1-6H3
InChIKeyXPHWROXUOFBMBY-UHFFFAOYSA-N
XLogP21.52
TPSA46.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.51
LogP ≤ 521.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
CID 89020124
1-N-[4-(1,3-diphenylpropyl)phenyl]-1-N-[6-methyl-4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 155275029
3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
CID 134172904
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
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-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
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
1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
CID 154542947
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline (CID 123317233) is N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline is COc1ccc(CCC(C2=CCC(C)C=C2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(C8=CCC(C)C=C8)c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is XPHWROXUOFBMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H75N3O4/c1-57-7-14-66(15-8-57)81(56-13-59-11-48-77(85-3)49-12-59)67-18-16-60(17-19-67)61-20-32-70(33-21-61)83(75-44-52-79(87-5)53-45-75)71-36-26-64(27-37-71)65-28-40-73(41-29-65)84(76-46-54-80(88-6)55-47-76)72-38-24-63(25-39-72)62-22-34-69(35-23-62)82(68-30-9-58(2)10-31-68)74-42-50-78(86-4)51-43-74/h7,9,11-12,14-55,57-58,81H,8,10,13,56H2,1-6H3.
What are the key properties of N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline?
N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 1154.51 g/mol, XLogP of 21.52, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 123317233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).