[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

C127H211O9P3 — CID 101327356

IUPAC[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
SMILESCCCCCCCCCCCCCCCOP(Oc1cccc(CCCCCCCCC)c1)Oc1cc(C)c(C(C)CC(c2cc(C(C)(C)C)c(OP(OCCCCCCCCCCCCCCC)Oc3cccc(CCCCCCCCC)c3)cc2C)c2cc(C(C)(C)C)c(OP(OCCCCCCCCCCCCCCC)Oc3cccc(CCCCCCCCC)c3)cc2C)cc1C(C)(C)C
InChIInChI=1S/C127H211O9P3/c1-20-26-32-38-44-47-50-53-56-59-65-71-77-92-128-137(131-112-89-80-86-109(99-112)83-74-68-62-41-35-29-23-4)134-122-96-106(8)115(102-119(122)125(11,12)13)105(7)95-118(116-103-120(126(14,15)16)123(97-107(116)9)135-138(129-93-78-72-66-60-57-54-51-48-45-39-33-27-21-2)132-113-90-81-87-110(100-113)84-75-69-63-42-36-30-24-5)117-104-121(127(17,18)19)124(98-108(117)10)136-139(130-94-79-73-67-61-58-55-52-49-46-40-34-28-22-3)133-114-91-82-88-111(101-114)85-76-70-64-43-37-31-25-6/h80-82,86-91,96-105,118H,20-79,83-85,92-95H2,1-19H3
InChIKeyBYFQZLSQZMBKGB-UHFFFAOYSA-N
MW1975.00 g/mol
LogP44.09
Rot. Bonds86

About [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

[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 (PubChem CID 101327356) has the molecular formula C127H211O9P3 and a molecular weight of 1975.00 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID101327356
Molecular FormulaC127H211O9P3
Molecular Weight1975.00 g/mol
Exact Mass1973.53
IUPAC Name[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
SMILESCCCCCCCCCCCCCCCOP(Oc1cccc(CCCCCCCCC)c1)Oc1cc(C)c(C(C)CC(c2cc(C(C)(C)C)c(OP(OCCCCCCCCCCCCCCC)Oc3cccc(CCCCCCCCC)c3)cc2C)c2cc(C(C)(C)C)c(OP(OCCCCCCCCCCCCCCC)Oc3cccc(CCCCCCCCC)c3)cc2C)cc1C(C)(C)C
InChIInChI=1S/C127H211O9P3/c1-20-26-32-38-44-47-50-53-56-59-65-71-77-92-128-137(131-112-89-80-86-109(99-112)83-74-68-62-41-35-29-23-4)134-122-96-106(8)115(102-119(122)125(11,12)13)105(7)95-118(116-103-120(126(14,15)16)123(97-107(116)9)135-138(129-93-78-72-66-60-57-54-51-48-45-39-33-27-21-2)132-113-90-81-87-110(100-113)84-75-69-63-42-36-30-24-5)117-104-121(127(17,18)19)124(98-108(117)10)136-139(130-94-79-73-67-61-58-55-52-49-46-40-34-28-22-3)133-114-91-82-88-111(101-114)85-76-70-64-43-37-31-25-6/h80-82,86-91,96-105,118H,20-79,83-85,92-95H2,1-19H3
InChIKeyBYFQZLSQZMBKGB-UHFFFAOYSA-N
XLogP44.09
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds86
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001975.00
LogP ≤ 544.09
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-[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 with MolForge

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Related Compounds

[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-[(4-octylphenoxy)-undecoxyphosphanyl]oxyphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] (4-octylphenyl) undecyl phosphite
CID 101327312
[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
[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
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056
octyl bis(4-octylphenyl) phosphite
CID 57093552
(2,3-ditert-butylphenyl) didodecyl phosphite
CID 20512200
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
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCCCCCCCCCCCCCCOP(Oc1cccc(CCCCCCCCC)c1)Oc1cc(C)c(C(C)CC(c2cc(C(C)(C)C)c(OP(OCCCCCCCCCCCCCCC)Oc3cccc(CCCCCCCCC)c3)cc2C)c2cc(C(C)(C)C)c(OP(OCCCCCCCCCCCCCCC)Oc3cccc(CCCCCCCCC)c3)cc2C)cc1C(C)(C)C.
What is the InChIKey of [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?
The InChIKey is BYFQZLSQZMBKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H211O9P3/c1-20-26-32-38-44-47-50-53-56-59-65-71-77-92-128-137(131-112-89-80-86-109(99-112)83-74-68-62-41-35-29-23-4)134-122-96-106(8)115(102-119(122)125(11,12)13)105(7)95-118(116-103-120(126(14,15)16)123(97-107(116)9)135-138(129-93-78-72-66-60-57-54-51-48-45-39-33-27-21-2)132-113-90-81-87-110(100-113)84-75-69-63-42-36-30-24-5)117-104-121(127(17,18)19)124(98-108(117)10)136-139(130-94-79-73-67-61-58-55-52-49-46-40-34-28-22-3)133-114-91-82-88-111(101-114)85-76-70-64-43-37-31-25-6/h80-82,86-91,96-105,118H,20-79,83-85,92-95H2,1-19H3.
What are the key properties of [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?
[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 has a molecular weight of 1975.00 g/mol, XLogP of 44.09, 86 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 101327356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).