2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene

C71H64O4 — CID 164762179

IUPAC2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene
SMILESC=Cc1ccc(COc2ccc(-c3cc(C)c(OCc4ccc(C=C)cc4)c(C(c4ccccc4)c4cc(-c5ccc(OCc6ccc(C=C)cc6)c(C)c5)cc(C)c4OCc4ccc(C=C)cc4)c3)cc2C)cc1
InChIInChI=1S/C71H64O4/c1-9-52-18-26-56(27-19-52)44-72-67-36-34-61(38-48(67)5)63-40-50(7)70(74-46-58-30-22-54(11-3)23-31-58)65(42-63)69(60-16-14-13-15-17-60)66-43-64(41-51(8)71(66)75-47-59-32-24-55(12-4)25-33-59)62-35-37-68(49(6)39-62)73-45-57-28-20-53(10-2)21-29-57/h9-43,69H,1-4,44-47H2,5-8H3
InChIKeyKLSAIDQSKPUNNR-UHFFFAOYSA-N
MW981.29 g/mol
LogP18.32
Rot. Bonds21

About 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene

2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene (PubChem CID 164762179) has the molecular formula C71H64O4 and a molecular weight of 981.29 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene
PubChem CID164762179
Molecular FormulaC71H64O4
Molecular Weight981.29 g/mol
Exact Mass980.48
IUPAC Name2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene
SMILESC=Cc1ccc(COc2ccc(-c3cc(C)c(OCc4ccc(C=C)cc4)c(C(c4ccccc4)c4cc(-c5ccc(OCc6ccc(C=C)cc6)c(C)c5)cc(C)c4OCc4ccc(C=C)cc4)c3)cc2C)cc1
InChIInChI=1S/C71H64O4/c1-9-52-18-26-56(27-19-52)44-72-67-36-34-61(38-48(67)5)63-40-50(7)70(74-46-58-30-22-54(11-3)23-31-58)65(42-63)69(60-16-14-13-15-17-60)66-43-64(41-51(8)71(66)75-47-59-32-24-55(12-4)25-33-59)62-35-37-68(49(6)39-62)73-45-57-28-20-53(10-2)21-29-57/h9-43,69H,1-4,44-47H2,5-8H3
InChIKeyKLSAIDQSKPUNNR-UHFFFAOYSA-N
XLogP18.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.29
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-methyl-4-[3-methyl-5-[[3-methyl-5-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-2-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-phenylmethyl]-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 155033612
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
1-tert-butyl-2-[(4-ethenylphenyl)methoxy]-3-methyl-5-[1,2,2-tris[3-tert-butyl-4-[(4-ethenylphenyl)methoxy]-5-methylphenyl]ethyl]benzene
CID 171473026
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
4-ethenyl-2-(3-methylphenyl)-1-phenylmethoxybenzene
CID 172879772
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
1-(chloromethyl)-4-ethenylbenzene;5-(2,6-dimethylphenoxy)-2-[4-[(4-ethenylphenyl)methoxy]-3,5-dimethylphenoxy]-1,3-dimethylbenzene
CID 159020818
2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-1-[[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-5-[4-[2-[(4-ethenylphenyl)methoxy]ethoxy]phenyl]phenyl]-[3-[4-[2-[(4-ethenylphenyl)methoxy]ethoxy]phenyl]cyclopenta-2,4-dien-1-yl]methyl]-3,5-dimethylbenzene
CID 156545152

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene?
The IUPAC name of 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene (CID 164762179) is 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene.
What is the SMILES notation for 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene?
The canonical SMILES for 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene is C=Cc1ccc(COc2ccc(-c3cc(C)c(OCc4ccc(C=C)cc4)c(C(c4ccccc4)c4cc(-c5ccc(OCc6ccc(C=C)cc6)c(C)c5)cc(C)c4OCc4ccc(C=C)cc4)c3)cc2C)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene?
The InChIKey is KLSAIDQSKPUNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H64O4/c1-9-52-18-26-56(27-19-52)44-72-67-36-34-61(38-48(67)5)63-40-50(7)70(74-46-58-30-22-54(11-3)23-31-58)65(42-63)69(60-16-14-13-15-17-60)66-43-64(41-51(8)71(66)75-47-59-32-24-55(12-4)25-33-59)62-35-37-68(49(6)39-62)73-45-57-28-20-53(10-2)21-29-57/h9-43,69H,1-4,44-47H2,5-8H3.
What are the key properties of 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene?
2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene has a molecular weight of 981.29 g/mol, XLogP of 18.32, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methoxy]-1-[[2-[(4-ethenylphenyl)methoxy]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylphenyl]-phenylmethyl]-5-[4-[(4-ethenylphenyl)methoxy]-3-methylphenyl]-3-methylbenzene is sourced from PubChem (CID 164762179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).