[4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite

C72H87O9P — CID 126668393

IUPAC[4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite
SMILESCCc1ccc2c(c1)C(c1cc(CC)ccc1OP(Oc1ccc(C(C)(C)CC)cc1C1C(=O)Oc3ccc(C(C)(C)CC)cc31)Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)C(=O)O2
InChIInChI=1S/C72H87O9P/c1-19-43-23-29-55-49(35-43)61(64(73)76-55)50-36-44(20-2)24-30-58(50)79-82(80-59-33-27-46(70(13,14)22-4)38-53(59)62-51-37-45(69(11,12)21-3)25-31-56(51)77-65(62)74)81-60-34-28-48(72(17,18)42-68(8,9)10)40-54(60)63-52-39-47(26-32-57(52)78-66(63)75)71(15,16)41-67(5,6)7/h23-40,61-63H,19-22,41-42H2,1-18H3
InChIKeyDCVUQRHCSIUEJX-UHFFFAOYSA-N
MW1127.45 g/mol
LogP18.53
Rot. Bonds19

About [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite

[4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite (PubChem CID 126668393) has the molecular formula C72H87O9P and a molecular weight of 1127.45 g/mol. Its IUPAC name is [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite.

Molecular Properties

Compound Name[4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite
PubChem CID126668393
Molecular FormulaC72H87O9P
Molecular Weight1127.45 g/mol
Exact Mass1126.61
IUPAC Name[4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite
SMILESCCc1ccc2c(c1)C(c1cc(CC)ccc1OP(Oc1ccc(C(C)(C)CC)cc1C1C(=O)Oc3ccc(C(C)(C)CC)cc31)Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)C(=O)O2
InChIInChI=1S/C72H87O9P/c1-19-43-23-29-55-49(35-43)61(64(73)76-55)50-36-44(20-2)24-30-58(50)79-82(80-59-33-27-46(70(13,14)22-4)38-53(59)62-51-37-45(69(11,12)21-3)25-31-56(51)77-65(62)74)81-60-34-28-48(72(17,18)42-68(8,9)10)40-54(60)63-52-39-47(26-32-57(52)78-66(63)75)71(15,16)41-67(5,6)7/h23-40,61-63H,19-22,41-42H2,1-18H3
InChIKeyDCVUQRHCSIUEJX-UHFFFAOYSA-N
XLogP18.53
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.45
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite?
The IUPAC name of [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite (CID 126668393) is [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite.
What is the SMILES notation for [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite?
The canonical SMILES for [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite is CCc1ccc2c(c1)C(c1cc(CC)ccc1OP(Oc1ccc(C(C)(C)CC)cc1C1C(=O)Oc3ccc(C(C)(C)CC)cc31)Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)C(=O)O2.
What is the InChIKey of [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite?
The InChIKey is DCVUQRHCSIUEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H87O9P/c1-19-43-23-29-55-49(35-43)61(64(73)76-55)50-36-44(20-2)24-30-58(50)79-82(80-59-33-27-46(70(13,14)22-4)38-53(59)62-51-37-45(69(11,12)21-3)25-31-56(51)77-65(62)74)81-60-34-28-48(72(17,18)42-68(8,9)10)40-54(60)63-52-39-47(26-32-57(52)78-66(63)75)71(15,16)41-67(5,6)7/h23-40,61-63H,19-22,41-42H2,1-18H3.
What are the key properties of [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite?
[4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite has a molecular weight of 1127.45 g/mol, XLogP of 18.53, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite is sourced from PubChem (CID 126668393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).