[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite

C106H169O9P3 — CID 101327372

IUPAC[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite
SMILESCCCCCCCCCOP(OCCCCCCCCC)Oc1cc(C)c(C(CC(C)c2cc(C(C)(C)C)c(OP(Oc3ccc(CCCCCCCC)cc3)Oc3ccc(CCCCCCCC)cc3)cc2C)c2cc(C(C)(C)C)c(OP(OCCCCCCCCC)Oc3ccc(CCCCCCCC)cc3)cc2C)cc1C(C)(C)C
InChIInChI=1S/C106H169O9P3/c1-20-26-32-38-44-50-56-74-107-116(108-75-57-51-45-39-33-27-21-2)113-101-79-86(9)95(82-99(101)105(14,15)16)97(96-83-100(106(17,18)19)102(80-87(96)10)114-117(109-76-58-52-46-40-34-28-22-3)110-91-68-62-88(63-69-91)59-53-47-41-35-29-23-4)77-84(7)94-81-98(104(11,12)13)103(78-85(94)8)115-118(111-92-70-64-89(65-71-92)60-54-48-42-36-30-24-5)112-93-72-66-90(67-73-93)61-55-49-43-37-31-25-6/h62-73,78-84,97H,20-61,74-77H2,1-19H3
InChIKeyJDUNYHUAPJLCIK-UHFFFAOYSA-N
MW1680.43 g/mol
LogP35.89
Rot. Bonds65

About [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite

[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite (PubChem CID 101327372) has the molecular formula C106H169O9P3 and a molecular weight of 1680.43 g/mol. Its IUPAC name is [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite.

Molecular Properties

Compound Name[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite
PubChem CID101327372
Molecular FormulaC106H169O9P3
Molecular Weight1680.43 g/mol
Exact Mass1679.20
IUPAC Name[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite
SMILESCCCCCCCCCOP(OCCCCCCCCC)Oc1cc(C)c(C(CC(C)c2cc(C(C)(C)C)c(OP(Oc3ccc(CCCCCCCC)cc3)Oc3ccc(CCCCCCCC)cc3)cc2C)c2cc(C(C)(C)C)c(OP(OCCCCCCCCC)Oc3ccc(CCCCCCCC)cc3)cc2C)cc1C(C)(C)C
InChIInChI=1S/C106H169O9P3/c1-20-26-32-38-44-50-56-74-107-116(108-75-57-51-45-39-33-27-21-2)113-101-79-86(9)95(82-99(101)105(14,15)16)97(96-83-100(106(17,18)19)102(80-87(96)10)114-117(109-76-58-52-46-40-34-28-22-3)110-91-68-62-88(63-69-91)59-53-47-41-35-29-23-4)77-84(7)94-81-98(104(11,12)13)103(78-85(94)8)115-118(111-92-70-64-89(65-71-92)60-54-48-42-36-30-24-5)112-93-72-66-90(67-73-93)61-55-49-43-37-31-25-6/h62-73,78-84,97H,20-61,74-77H2,1-19H3
InChIKeyJDUNYHUAPJLCIK-UHFFFAOYSA-N
XLogP35.89
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds65
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001680.43
LogP ≤ 535.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite with MolForge

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Related Compounds

[4-[4,4-bis[5-tert-butyl-2-methyl-4-[(4-octylphenoxy)-undecoxyphosphanyl]oxyphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] (4-octylphenyl) undecyl phosphite
CID 101327312
[4-[4,4-bis[5-tert-butyl-4-[dodecoxy-(3-octylphenoxy)phosphanyl]oxy-2-methylphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] dodecyl (3-octylphenyl) phosphite
CID 101327314
[4-[4,4-bis[5-tert-butyl-2-methyl-4-[(3-nonylphenoxy)-pentadecoxyphosphanyl]oxyphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] (3-nonylphenyl) pentadecyl phosphite
CID 101327356
[4-[1,3-bis[5-tert-butyl-2-methyl-4-[trideca-1,3,5,7,9,11-hexaynoxy(tridecoxy)phosphanyl]oxyphenyl]butyl]-2-tert-butyl-5-methylphenyl] ditridecyl phosphite;dodecahydrate
CID 160927950
octyl bis(4-octylphenyl) phosphite
CID 57093552
(4-tert-butylphenyl) didodecyl phosphite
CID 59608946
bis(4-dodecylphenyl) phenyl phosphite
CID 154294931
2-bis(2-butan-2-ylphenoxy)phosphanyloxyethyl bis(2-butan-2-ylphenyl) phosphite;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-diphenoxyphosphanyloxypropyl diphenyl phosphite;tris(2-butan-2-ylphenyl) phosphite
CID 167641823
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056
(2,3-ditert-butylphenyl) didodecyl phosphite
CID 20512200
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
(2-tert-butyl-5-methylphenyl) bis(11-methyldodecyl) phosphite
CID 150859734

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite?
The IUPAC name of [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite (CID 101327372) is [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite.
What is the SMILES notation for [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite?
The canonical SMILES for [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite is CCCCCCCCCOP(OCCCCCCCCC)Oc1cc(C)c(C(CC(C)c2cc(C(C)(C)C)c(OP(Oc3ccc(CCCCCCCC)cc3)Oc3ccc(CCCCCCCC)cc3)cc2C)c2cc(C(C)(C)C)c(OP(OCCCCCCCCC)Oc3ccc(CCCCCCCC)cc3)cc2C)cc1C(C)(C)C.
What is the InChIKey of [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite?
The InChIKey is JDUNYHUAPJLCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H169O9P3/c1-20-26-32-38-44-50-56-74-107-116(108-75-57-51-45-39-33-27-21-2)113-101-79-86(9)95(82-99(101)105(14,15)16)97(96-83-100(106(17,18)19)102(80-87(96)10)114-117(109-76-58-52-46-40-34-28-22-3)110-91-68-62-88(63-69-91)59-53-47-41-35-29-23-4)77-84(7)94-81-98(104(11,12)13)103(78-85(94)8)115-118(111-92-70-64-89(65-71-92)60-54-48-42-36-30-24-5)112-93-72-66-90(67-73-93)61-55-49-43-37-31-25-6/h62-73,78-84,97H,20-61,74-77H2,1-19H3.
What are the key properties of [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite?
[4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite has a molecular weight of 1680.43 g/mol, XLogP of 35.89, 65 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-bis(4-octylphenoxy)phosphanyloxy-5-tert-butyl-2-methylphenyl]-1-[5-tert-butyl-4-di(nonoxy)phosphanyloxy-2-methylphenyl]butyl]-2-tert-butyl-5-methylphenyl] nonyl (4-octylphenyl) phosphite is sourced from PubChem (CID 101327372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).