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

C67H61N3O6 — CID 163637919

IUPAC4-[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
SMILESCOc1ccc(N(C2=CCC(C)(OC)C=C2)c2ccc(-c3cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H61N3O6/c1-67(76-7)42-40-61(41-43-67)70(60-28-38-66(75-6)39-29-60)55-18-12-49(13-19-55)52-45-50(47-8-14-53(15-9-47)68(56-20-30-62(71-2)31-21-56)57-22-32-63(72-3)33-23-57)44-51(46-52)48-10-16-54(17-11-48)69(58-24-34-64(73-4)35-25-58)59-26-36-65(74-5)37-27-59/h8-42,44-46H,43H2,1-7H3
InChIKeyIBUGLBFAXWCMDF-UHFFFAOYSA-N
MW1004.24 g/mol
LogP17.06
Rot. Bonds18

About 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

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 (PubChem CID 163637919) has the molecular formula C67H61N3O6 and a molecular weight of 1004.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID163637919
Molecular FormulaC67H61N3O6
Molecular Weight1004.24 g/mol
Exact Mass1003.46
IUPAC Name4-[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
SMILESCOc1ccc(N(C2=CCC(C)(OC)C=C2)c2ccc(-c3cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H61N3O6/c1-67(76-7)42-40-61(41-43-67)70(60-28-38-66(75-6)39-29-60)55-18-12-49(13-19-55)52-45-50(47-8-14-53(15-9-47)68(56-20-30-62(71-2)31-21-56)57-22-32-63(72-3)33-23-57)44-51(46-52)48-10-16-54(17-11-48)69(58-24-34-64(73-4)35-25-58)59-26-36-65(74-5)37-27-59/h8-42,44-46H,43H2,1-7H3
InChIKeyIBUGLBFAXWCMDF-UHFFFAOYSA-N
XLogP17.06
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.24
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline
CID 163905978
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-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
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,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
4-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 163550871
(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]sulfanium
CID 148672487
4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 142469386
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(N(C2=CCC(C)(OC)C=C2)c2ccc(-c3cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IBUGLBFAXWCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H61N3O6/c1-67(76-7)42-40-61(41-43-67)70(60-28-38-66(75-6)39-29-60)55-18-12-49(13-19-55)52-45-50(47-8-14-53(15-9-47)68(56-20-30-62(71-2)31-21-56)57-22-32-63(72-3)33-23-57)44-51(46-52)48-10-16-54(17-11-48)69(58-24-34-64(73-4)35-25-58)59-26-36-65(74-5)37-27-59/h8-42,44-46H,43H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 1004.24 g/mol, XLogP of 17.06, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163637919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).