N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline

C54H48N4O4 — CID 101376712

IUPACN-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
SMILESCOc1ccc(Nc2ccc(C(=C(c3ccc(Nc4ccc(OC)cc4)cc3)c3ccc(Nc4ccc(OC)cc4)cc3)c3ccc(Nc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H48N4O4/c1-59-49-29-21-45(22-30-49)55-41-13-5-37(6-14-41)53(38-7-15-42(16-8-38)56-46-23-31-50(60-2)32-24-46)54(39-9-17-43(18-10-39)57-47-25-33-51(61-3)34-26-47)40-11-19-44(20-12-40)58-48-27-35-52(62-4)36-28-48/h5-36,55-58H,1-4H3
InChIKeyWQTTZUAYGVBBEF-UHFFFAOYSA-N
MW817.00 g/mol
LogP13.70
Rot. Bonds16

About N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline

N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline (PubChem CID 101376712) has the molecular formula C54H48N4O4 and a molecular weight of 817.00 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
PubChem CID101376712
Molecular FormulaC54H48N4O4
Molecular Weight817.00 g/mol
Exact Mass816.37
IUPAC NameN-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
SMILESCOc1ccc(Nc2ccc(C(=C(c3ccc(Nc4ccc(OC)cc4)cc3)c3ccc(Nc4ccc(OC)cc4)cc3)c3ccc(Nc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H48N4O4/c1-59-49-29-21-45(22-30-49)55-41-13-5-37(6-14-41)53(38-7-15-42(16-8-38)56-46-23-31-50(60-2)32-24-46)54(39-9-17-43(18-10-39)57-47-25-33-51(61-3)34-26-47)40-11-19-44(20-12-40)58-48-27-35-52(62-4)36-28-48/h5-36,55-58H,1-4H3
InChIKeyWQTTZUAYGVBBEF-UHFFFAOYSA-N
XLogP13.70
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 513.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
dimethyl 5-(4-methoxyanilino)benzene-1,3-dicarboxylate
CID 155291103
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
N,4-dimethoxyaniline
CID 23340556
CID 136883665
CID 136883665
3-(4-methoxyanilino)phenol
CID 15574559
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline?
The IUPAC name of N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline (CID 101376712) is N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline?
The canonical SMILES for N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline is COc1ccc(Nc2ccc(C(=C(c3ccc(Nc4ccc(OC)cc4)cc3)c3ccc(Nc4ccc(OC)cc4)cc3)c3ccc(Nc4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline?
The InChIKey is WQTTZUAYGVBBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4O4/c1-59-49-29-21-45(22-30-49)55-41-13-5-37(6-14-41)53(38-7-15-42(16-8-38)56-46-23-31-50(60-2)32-24-46)54(39-9-17-43(18-10-39)57-47-25-33-51(61-3)34-26-47)40-11-19-44(20-12-40)58-48-27-35-52(62-4)36-28-48/h5-36,55-58H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline?
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline has a molecular weight of 817.00 g/mol, XLogP of 13.70, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline is sourced from PubChem (CID 101376712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).