but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

C141H113O15P5 — CID 161384913

About but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 161384913) has the molecular formula C141H113O15P5 and a molecular weight of 2202.31 g/mol. Its IUPAC name is but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

• Compound Name: but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
• PubChem CID: 161384913
• Molecular Formula: C141H113O15P5
• Molecular Weight: 2202.31 g/mol
• Exact Mass: 2200.68
• IUPAC Name: but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
• SMILES: C=CCC.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(P4(=O)Oc5ccccc5-c5ccccc54)cc3)c(CC=C)c2)ccc1Oc1ccc(P2(=O)Oc3ccccc3-c3ccccc32)cc1.C=CCc1cccc(Cc2cccc(Cc3cccc(CC=C)c3Oc3ccc(P4(=O)Oc5ccccc5-c5ccccc54)cc3)c2Oc2ccc(P3(=O)Oc4ccccc4-c4ccccc43)cc2)c1Oc1ccc(P2(=O)Oc3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C80H59O9P3.C57H46O6P2.C4H8/c1-3-20-54-22-17-24-56(78(54)84-60-40-46-63(47-41-60)90(81)75-37-14-8-31-69(75)66-28-5-11-34-72(66)87-90)52-58-26-19-27-59(80(58)86-62-44-50-65(51-45-62)92(83)77-39-16-10-33-71(77)68-30-7-13-36-74(68)89-92)53-57-25-18-23-55(21-4-2)79(57)85-61-42-48-64(49-43-61)91(82)76-38-15-9-32-70(76)67-29-6-12-35-73(67)88-91;1-5-15-39-37-41(25-35-51(39)60-43-27-31-45(32-28-43)64(58)55-23-13-9-19-49(55)47-17-7-11-21-53(47)62-64)57(3,4)42-26-36-52(40(38-42)16-6-2)61-44-29-33-46(34-30-44)65(59)56-24-14-10-20-50(56)48-18-8-12-22-54(48)63-65;1-3-4-2/h3-19,22-51H,1-2,20-21,52-53H2;5-14,17-38H,1-2,15-16H2,3-4H3;3H,1,4H2,2H3
• InChIKey: VSFBLRBQARDPHF-UHFFFAOYSA-N
• XLogP: 33.78
• TPSA: 177.65 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2202.31
LogP ≤ 5	33.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The IUPAC name of but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 161384913) is but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

What is the SMILES notation for but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The canonical SMILES for but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is C=CCC.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(P4(=O)Oc5ccccc5-c5ccccc54)cc3)c(CC=C)c2)ccc1Oc1ccc(P2(=O)Oc3ccccc3-c3ccccc32)cc1.C=CCc1cccc(Cc2cccc(Cc3cccc(CC=C)c3Oc3ccc(P4(=O)Oc5ccccc5-c5ccccc54)cc3)c2Oc2ccc(P3(=O)Oc4ccccc4-c4ccccc43)cc2)c1Oc1ccc(P2(=O)Oc3ccccc3-c3ccccc32)cc1.

What is the InChIKey of but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The InChIKey is VSFBLRBQARDPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H59O9P3.C57H46O6P2.C4H8/c1-3-20-54-22-17-24-56(78(54)84-60-40-46-63(47-41-60)90(81)75-37-14-8-31-69(75)66-28-5-11-34-72(66)87-90)52-58-26-19-27-59(80(58)86-62-44-50-65(51-45-62)92(83)77-39-16-10-33-71(77)68-30-7-13-36-74(68)89-92)53-57-25-18-23-55(21-4-2)79(57)85-61-42-48-64(49-43-61)91(82)76-38-15-9-32-70(76)67-29-6-12-35-73(67)88-91;1-5-15-39-37-41(25-35-51(39)60-43-27-31-45(32-28-43)64(58)55-23-13-9-19-49(55)47-17-7-11-21-53(47)62-64)57(3,4)42-26-36-52(40(38-42)16-6-2)61-44-29-33-46(34-30-44)65(59)56-24-14-10-20-50(56)48-18-8-12-22-54(48)63-65;1-3-4-2/h3-19,22-51H,1-2,20-21,52-53H2;5-14,17-38H,1-2,15-16H2,3-4H3;3H,1,4H2,2H3.

What are the key properties of but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 2202.31 g/mol, XLogP of 33.78, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for but-1-ene;6-[4-[2-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-[[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]methyl]phenyl]methyl]-6-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide;6-[4-[4-[2-[4-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 161384913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).