N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline

C94H82N4O8 — CID 155888504

IUPACN,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(C=Cc3cc(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3C=Cc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C94H82N4O8/c1-99-87-49-33-79(34-50-87)95(80-35-51-88(100-2)52-36-80)75-25-13-67(14-26-75)9-21-71-65-73(23-11-69-17-29-77(30-18-69)97(83-41-57-91(103-5)58-42-83)84-43-59-92(104-6)60-44-84)74(24-12-70-19-31-78(32-20-70)98(85-45-61-93(105-7)62-46-85)86-47-63-94(106-8)64-48-86)66-72(71)22-10-68-15-27-76(28-16-68)96(81-37-53-89(101-3)54-38-81)82-39-55-90(102-4)56-40-82/h9-66H,1-8H3
InChIKeyNEQXRIKADFKMDT-UHFFFAOYSA-N
MW1395.71 g/mol
LogP24.32
Rot. Bonds28

About N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline

N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline (PubChem CID 155888504) has the molecular formula C94H82N4O8 and a molecular weight of 1395.71 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
PubChem CID155888504
Molecular FormulaC94H82N4O8
Molecular Weight1395.71 g/mol
Exact Mass1394.61
IUPAC NameN,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(C=Cc3cc(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3C=Cc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C94H82N4O8/c1-99-87-49-33-79(34-50-87)95(80-35-51-88(100-2)52-36-80)75-25-13-67(14-26-75)9-21-71-65-73(23-11-69-17-29-77(30-18-69)97(83-41-57-91(103-5)58-42-83)84-43-59-92(104-6)60-44-84)74(24-12-70-19-31-78(32-20-70)98(85-45-61-93(105-7)62-46-85)86-47-63-94(106-8)64-48-86)66-72(71)22-10-68-15-27-76(28-16-68)96(81-37-53-89(101-3)54-38-81)82-39-55-90(102-4)56-40-82/h9-66H,1-8H3
InChIKeyNEQXRIKADFKMDT-UHFFFAOYSA-N
XLogP24.32
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.71
LogP ≤ 524.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N,N-bis(4-methoxyphenyl)-4-[2-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]ethenyl]aniline
CID 59117636
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
N-[4-[(Z)-2-[6-[(Z)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 59905387
1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 101211712
2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 11297254
4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888023
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline (CID 155888504) is N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline is COc1ccc(N(c2ccc(C=Cc3cc(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c(C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3C=Cc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
The InChIKey is NEQXRIKADFKMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H82N4O8/c1-99-87-49-33-79(34-50-87)95(80-35-51-88(100-2)52-36-80)75-25-13-67(14-26-75)9-21-71-65-73(23-11-69-17-29-77(30-18-69)97(83-41-57-91(103-5)58-42-83)84-43-59-92(104-6)60-44-84)74(24-12-70-19-31-78(32-20-70)98(85-45-61-93(105-7)62-46-85)86-47-63-94(106-8)64-48-86)66-72(71)22-10-68-15-27-76(28-16-68)96(81-37-53-89(101-3)54-38-81)82-39-55-90(102-4)56-40-82/h9-66H,1-8H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline has a molecular weight of 1395.71 g/mol, XLogP of 24.32, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline is sourced from PubChem (CID 155888504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).