diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite

About diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite

diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite (PubChem CID 123313934) has the molecular formula C66H89O6P and a molecular weight of 1009.41 g/mol. Its IUPAC name is diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite.

Molecular Properties

Compound Name	diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite
PubChem CID	123313934
Molecular Formula	C66H89O6P
Molecular Weight	1009.41 g/mol
Exact Mass	1008.64
IUPAC Name	diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite
SMILES	CCCOC1=C(C=C(CC)C(C)(C)C)Cc2cc(C(C)(C)C)cc(c2OP(Oc2ccccc2)Oc2ccccc2)Cc2cc(C(C)(C)C)cc(c2OCCC)Cc2cc(C(C)(C)C)cc(c2OCCC)CC1
InChI	InChI=1S/C66H89O6P/c1-17-33-67-59-32-31-46-39-54(64(8,9)10)41-48(60(46)68-34-18-2)37-49-42-55(65(11,12)13)43-50(61(49)69-35-19-3)38-52-45-56(66(14,15)16)44-51(36-47(59)40-53(20-4)63(5,6)7)62(52)72-73(70-57-27-23-21-24-28-57)71-58-29-25-22-26-30-58/h21-30,39-45H,17-20,31-38H2,1-16H3
InChIKey	DMMJSQAJRAETJQ-UHFFFAOYSA-N
XLogP	18.65
TPSA	55.38 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	17
Heavy Atoms	73
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.41
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite?

The IUPAC name of diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite (CID 123313934) is diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite.

What is the SMILES notation for diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite?

The canonical SMILES for diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite is CCCOC1=C(C=C(CC)C(C)(C)C)Cc2cc(C(C)(C)C)cc(c2OP(Oc2ccccc2)Oc2ccccc2)Cc2cc(C(C)(C)C)cc(c2OCCC)Cc2cc(C(C)(C)C)cc(c2OCCC)CC1.

What is the InChIKey of diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite?

The InChIKey is DMMJSQAJRAETJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H89O6P/c1-17-33-67-59-32-31-46-39-54(64(8,9)10)41-48(60(46)68-34-18-2)37-49-42-55(65(11,12)13)43-50(61(49)69-35-19-3)38-52-45-56(66(14,15)16)44-51(36-47(59)40-53(20-4)63(5,6)7)62(52)72-73(70-57-27-23-21-24-28-57)71-58-29-25-22-26-30-58/h21-30,39-45H,17-20,31-38H2,1-16H3.

What are the key properties of diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite?

diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite has a molecular weight of 1009.41 g/mol, XLogP of 18.65, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl [5,11,21-tritert-butyl-17-(2-ethyl-3,3-dimethylbut-1-enyl)-16,24,25-tripropoxy-23-tetracyclo[17.3.1.13,7.19,13]pentacosa-1(23),3,5,7(25),9,11,13(24),16,19,21-decaenyl] phosphite is sourced from PubChem (CID 123313934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).