5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene

C72H72O12 — CID 102493215

IUPAC5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene
SMILESC=CCOc1cc(COc2ccc(-c3cc(-c4ccc(OCc5cc(OCC=C)c(OCC=C)c(OCC=C)c5)cc4)cc(-c4ccc(OCc5cc(OCC=C)c(OCC=C)c(OCC=C)c5)cc4)c3)cc2)cc(OCC=C)c1OCC=C
InChIInChI=1S/C72H72O12/c1-10-31-73-64-40-52(41-65(74-32-11-2)70(64)79-37-16-7)49-82-61-25-19-55(20-26-61)58-46-59(56-21-27-62(28-22-56)83-50-53-42-66(75-33-12-3)71(80-38-17-8)67(43-53)76-34-13-4)48-60(47-58)57-23-29-63(30-24-57)84-51-54-44-68(77-35-14-5)72(81-39-18-9)69(45-54)78-36-15-6/h10-30,40-48H,1-9,31-39,49-51H2
InChIKeyGRUOUHWVQSKVBA-UHFFFAOYSA-N
MW1129.36 g/mol
LogP16.51
Rot. Bonds39

About 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene

5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene (PubChem CID 102493215) has the molecular formula C72H72O12 and a molecular weight of 1129.36 g/mol. Its IUPAC name is 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene.

Molecular Properties

Compound Name5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene
PubChem CID102493215
Molecular FormulaC72H72O12
Molecular Weight1129.36 g/mol
Exact Mass1128.50
IUPAC Name5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene
SMILESC=CCOc1cc(COc2ccc(-c3cc(-c4ccc(OCc5cc(OCC=C)c(OCC=C)c(OCC=C)c5)cc4)cc(-c4ccc(OCc5cc(OCC=C)c(OCC=C)c(OCC=C)c5)cc4)c3)cc2)cc(OCC=C)c1OCC=C
InChIInChI=1S/C72H72O12/c1-10-31-73-64-40-52(41-65(74-32-11-2)70(64)79-37-16-7)49-82-61-25-19-55(20-26-61)58-46-59(56-21-27-62(28-22-56)83-50-53-42-66(75-33-12-3)71(80-38-17-8)67(43-53)76-34-13-4)48-60(47-58)57-23-29-63(30-24-57)84-51-54-44-68(77-35-14-5)72(81-39-18-9)69(45-54)78-36-15-6/h10-30,40-48H,1-9,31-39,49-51H2
InChIKeyGRUOUHWVQSKVBA-UHFFFAOYSA-N
XLogP16.51
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.36
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene with MolForge

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Related Compounds

5-[[4-[3,5-bis[4-[(3,4,5-trihexoxyphenyl)methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-trihexoxybenzene
CID 102393948
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
CID 50888850
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
2,4,6-tris[4-[(3,4,5-trihexoxyphenyl)methoxy]phenyl]-1,3,5-triazine
CID 102393949
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
1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene
CID 126610314
1-ethynyl-4-(4-prop-2-enoxyphenyl)benzene
CID 160738690
1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
CID 139773227
4-ethoxy-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126126146

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene?
The IUPAC name of 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene (CID 102493215) is 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene.
What is the SMILES notation for 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene?
The canonical SMILES for 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene is C=CCOc1cc(COc2ccc(-c3cc(-c4ccc(OCc5cc(OCC=C)c(OCC=C)c(OCC=C)c5)cc4)cc(-c4ccc(OCc5cc(OCC=C)c(OCC=C)c(OCC=C)c5)cc4)c3)cc2)cc(OCC=C)c1OCC=C.
What is the InChIKey of 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene?
The InChIKey is GRUOUHWVQSKVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H72O12/c1-10-31-73-64-40-52(41-65(74-32-11-2)70(64)79-37-16-7)49-82-61-25-19-55(20-26-61)58-46-59(56-21-27-62(28-22-56)83-50-53-42-66(75-33-12-3)71(80-38-17-8)67(43-53)76-34-13-4)48-60(47-58)57-23-29-63(30-24-57)84-51-54-44-68(77-35-14-5)72(81-39-18-9)69(45-54)78-36-15-6/h10-30,40-48H,1-9,31-39,49-51H2.
What are the key properties of 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene?
5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene has a molecular weight of 1129.36 g/mol, XLogP of 16.51, 39 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3,5-bis[4-[[3,4,5-tris(prop-2-enoxy)phenyl]methoxy]phenyl]phenyl]phenoxy]methyl]-1,2,3-tris(prop-2-enoxy)benzene is sourced from PubChem (CID 102493215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).