1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)

C217H226Br8Cl4O22 — CID 159976279

IUPAC1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)
SMILESC=CCCCOc1c(Cl)cc(C(C)(c2ccccc2)c2cc(Cl)c(OCCCC=C)c(Cl)c2)cc1Cl.C=CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCCCOc3c(Br)cc(C(C)(C)c4cc(Br)c(OCC=C)c(Br)c4)cc3Br)c(Br)c2)cc1Br.C=CCOc1ccc(C(C)(C)c2ccc(OCCCOc3ccc(C(C)(C)c4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(C(C)(C)c2ccc(OCCCOc3ccc(C(C)(C)c4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H36Br8O4.2C39H44O4.2C35H36O4.C30H30Cl4O2/c1-7-10-48-34-26(40)14-22(15-27(34)41)38(3,4)24-18-30(44)36(31(45)19-24)50-12-9-13-51-37-32(46)20-25(21-33(37)47)39(5,6)23-16-28(42)35(29(43)17-23)49-11-8-2;2*1-7-26-40-34-18-10-30(11-19-34)38(3,4)32-14-22-36(23-15-32)42-28-9-29-43-37-24-16-33(17-25-37)39(5,6)31-12-20-35(21-13-31)41-27-8-2;2*1-3-22-36-32-14-6-28(7-15-32)26-30-10-18-34(19-11-30)38-24-5-25-39-35-20-12-31(13-21-35)27-29-8-16-33(17-9-29)37-23-4-2;1-4-6-11-15-35-28-24(31)17-22(18-25(28)32)30(3,21-13-9-8-10-14-21)23-19-26(33)29(27(34)20-23)36-16-12-7-5-2/h7-8,14-21H,1-2,9-13H2,3-6H3;2*7-8,10-25H,1-2,9,26-29H2,3-6H3;2*3-4,6-21H,1-2,5,22-27H2;4-5,8-10,13-14,17-20H,1-2,6-7,11-12,15-16H2,3H3
InChIKeyOFEWQSSILPZJSR-UHFFFAOYSA-N
MW3967.22 g/mol
LogP60.08
Rot. Bonds93

About 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)

1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene) (PubChem CID 159976279) has the molecular formula C217H226Br8Cl4O22 and a molecular weight of 3967.22 g/mol. Its IUPAC name is 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene).

Molecular Properties

Compound Name1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)
PubChem CID159976279
Molecular FormulaC217H226Br8Cl4O22
Molecular Weight3967.22 g/mol
Exact Mass3954.88
IUPAC Name1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)
SMILESC=CCCCOc1c(Cl)cc(C(C)(c2ccccc2)c2cc(Cl)c(OCCCC=C)c(Cl)c2)cc1Cl.C=CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCCCOc3c(Br)cc(C(C)(C)c4cc(Br)c(OCC=C)c(Br)c4)cc3Br)c(Br)c2)cc1Br.C=CCOc1ccc(C(C)(C)c2ccc(OCCCOc3ccc(C(C)(C)c4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(C(C)(C)c2ccc(OCCCOc3ccc(C(C)(C)c4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H36Br8O4.2C39H44O4.2C35H36O4.C30H30Cl4O2/c1-7-10-48-34-26(40)14-22(15-27(34)41)38(3,4)24-18-30(44)36(31(45)19-24)50-12-9-13-51-37-32(46)20-25(21-33(37)47)39(5,6)23-16-28(42)35(29(43)17-23)49-11-8-2;2*1-7-26-40-34-18-10-30(11-19-34)38(3,4)32-14-22-36(23-15-32)42-28-9-29-43-37-24-16-33(17-25-37)39(5,6)31-12-20-35(21-13-31)41-27-8-2;2*1-3-22-36-32-14-6-28(7-15-32)26-30-10-18-34(19-11-30)38-24-5-25-39-35-20-12-31(13-21-35)27-29-8-16-33(17-9-29)37-23-4-2;1-4-6-11-15-35-28-24(31)17-22(18-25(28)32)30(3,21-13-9-8-10-14-21)23-19-26(33)29(27(34)20-23)36-16-12-7-5-2/h7-8,14-21H,1-2,9-13H2,3-6H3;2*7-8,10-25H,1-2,9,26-29H2,3-6H3;2*3-4,6-21H,1-2,5,22-27H2;4-5,8-10,13-14,17-20H,1-2,6-7,11-12,15-16H2,3H3
InChIKeyOFEWQSSILPZJSR-UHFFFAOYSA-N
XLogP60.08
TPSA203.06 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds93
Heavy Atoms251
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003967.22
LogP ≤ 560.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)?
The IUPAC name of 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene) (CID 159976279) is 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene).
What is the SMILES notation for 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)?
The canonical SMILES for 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene) is C=CCCCOc1c(Cl)cc(C(C)(c2ccccc2)c2cc(Cl)c(OCCCC=C)c(Cl)c2)cc1Cl.C=CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCCCOc3c(Br)cc(C(C)(C)c4cc(Br)c(OCC=C)c(Br)c4)cc3Br)c(Br)c2)cc1Br.C=CCOc1ccc(C(C)(C)c2ccc(OCCCOc3ccc(C(C)(C)c4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(C(C)(C)c2ccc(OCCCOc3ccc(C(C)(C)c4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1.C=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)?
The InChIKey is OFEWQSSILPZJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36Br8O4.2C39H44O4.2C35H36O4.C30H30Cl4O2/c1-7-10-48-34-26(40)14-22(15-27(34)41)38(3,4)24-18-30(44)36(31(45)19-24)50-12-9-13-51-37-32(46)20-25(21-33(37)47)39(5,6)23-16-28(42)35(29(43)17-23)49-11-8-2;2*1-7-26-40-34-18-10-30(11-19-34)38(3,4)32-14-22-36(23-15-32)42-28-9-29-43-37-24-16-33(17-25-37)39(5,6)31-12-20-35(21-13-31)41-27-8-2;2*1-3-22-36-32-14-6-28(7-15-32)26-30-10-18-34(19-11-30)38-24-5-25-39-35-20-12-31(13-21-35)27-29-8-16-33(17-9-29)37-23-4-2;1-4-6-11-15-35-28-24(31)17-22(18-25(28)32)30(3,21-13-9-8-10-14-21)23-19-26(33)29(27(34)20-23)36-16-12-7-5-2/h7-8,14-21H,1-2,9-13H2,3-6H3;2*7-8,10-25H,1-2,9,26-29H2,3-6H3;2*3-4,6-21H,1-2,5,22-27H2;4-5,8-10,13-14,17-20H,1-2,6-7,11-12,15-16H2,3H3.
What are the key properties of 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)?
1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene) has a molecular weight of 3967.22 g/mol, XLogP of 60.08, 93 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene) is sourced from PubChem (CID 159976279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).