2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene

C86H78O8 — CID 134550776

IUPAC2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(OCC=C)c(C(c3ccc(-c4ccc(C(c5cc(-c6ccc(OCC=C)cc6)ccc5OCC=C)c5cc(-c6ccc(OCC=C)cc6)ccc5OCC=C)cc4)cc3)c3cc(-c4ccc(OCC=C)cc4)ccc3OCC=C)c2)cc1
InChIInChI=1S/C86H78O8/c1-9-49-87-73-37-25-63(26-38-73)69-33-45-81(91-53-13-5)77(57-69)85(78-58-70(34-46-82(78)92-54-14-6)64-27-39-74(40-28-64)88-50-10-2)67-21-17-61(18-22-67)62-19-23-68(24-20-62)86(79-59-71(35-47-83(79)93-55-15-7)65-29-41-75(42-30-65)89-51-11-3)80-60-72(36-48-84(80)94-56-16-8)66-31-43-76(44-32-66)90-52-12-4/h9-48,57-60,85-86H,1-8,49-56H2
InChIKeyQFOXPJDXYTUIJO-UHFFFAOYSA-N
MW1239.56 g/mol
LogP20.90
Rot. Bonds35

About 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene

2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene (PubChem CID 134550776) has the molecular formula C86H78O8 and a molecular weight of 1239.56 g/mol. Its IUPAC name is 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene.

Molecular Properties

Compound Name2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene
PubChem CID134550776
Molecular FormulaC86H78O8
Molecular Weight1239.56 g/mol
Exact Mass1238.57
IUPAC Name2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(OCC=C)c(C(c3ccc(-c4ccc(C(c5cc(-c6ccc(OCC=C)cc6)ccc5OCC=C)c5cc(-c6ccc(OCC=C)cc6)ccc5OCC=C)cc4)cc3)c3cc(-c4ccc(OCC=C)cc4)ccc3OCC=C)c2)cc1
InChIInChI=1S/C86H78O8/c1-9-49-87-73-37-25-63(26-38-73)69-33-45-81(91-53-13-5)77(57-69)85(78-58-70(34-46-82(78)92-54-14-6)64-27-39-74(40-28-64)88-50-10-2)67-21-17-61(18-22-67)62-19-23-68(24-20-62)86(79-59-71(35-47-83(79)93-55-15-7)65-29-41-75(42-30-65)89-51-11-3)80-60-72(36-48-84(80)94-56-16-8)66-31-43-76(44-32-66)90-52-12-4/h9-48,57-60,85-86H,1-8,49-56H2
InChIKeyQFOXPJDXYTUIJO-UHFFFAOYSA-N
XLogP20.90
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.56
LogP ≤ 520.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-[[4-[bis[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]phenyl]-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]phenyl] prop-2-enoate
CID 135225857
4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenoxy]ethoxy]phenol
CID 142364310
1,3,4-trimethyl-2-prop-2-enoxy-5-[(4-prop-2-enoxyphenyl)-(2,3,5-trimethyl-4-prop-2-enoxyphenyl)methyl]benzene
CID 171421206
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903
1-[[5-(4-but-3-ynoxyphenyl)-2-prop-2-ynoxyphenyl]-[5-(4-prop-2-enoxyphenyl)-2-prop-2-ynoxyphenyl]methyl]-3,5-diiodo-2-prop-2-ynoxybenzene
CID 156544912
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
CID 71494810
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
1-ethynyl-4-(4-prop-2-enoxyphenyl)benzene
CID 160738690

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene?
The IUPAC name of 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene (CID 134550776) is 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene.
What is the SMILES notation for 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene?
The canonical SMILES for 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene is C=CCOc1ccc(-c2ccc(OCC=C)c(C(c3ccc(-c4ccc(C(c5cc(-c6ccc(OCC=C)cc6)ccc5OCC=C)c5cc(-c6ccc(OCC=C)cc6)ccc5OCC=C)cc4)cc3)c3cc(-c4ccc(OCC=C)cc4)ccc3OCC=C)c2)cc1.
What is the InChIKey of 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene?
The InChIKey is QFOXPJDXYTUIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H78O8/c1-9-49-87-73-37-25-63(26-38-73)69-33-45-81(91-53-13-5)77(57-69)85(78-58-70(34-46-82(78)92-54-14-6)64-27-39-74(40-28-64)88-50-10-2)67-21-17-61(18-22-67)62-19-23-68(24-20-62)86(79-59-71(35-47-83(79)93-55-15-7)65-29-41-75(42-30-65)89-51-11-3)80-60-72(36-48-84(80)94-56-16-8)66-31-43-76(44-32-66)90-52-12-4/h9-48,57-60,85-86H,1-8,49-56H2.
What are the key properties of 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene?
2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene has a molecular weight of 1239.56 g/mol, XLogP of 20.90, 35 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[bis[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]phenyl]phenyl]-[2-prop-2-enoxy-5-(4-prop-2-enoxyphenyl)phenyl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene is sourced from PubChem (CID 134550776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).