[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite

C68H62O8P2 — CID 165162014

IUPAC[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(C(C)(C)C)c1
InChIInChI=1S/C68H62O8P2/c1-65(2,3)59-45-53(69-7)43-57(63(59)73-77(71-61-41-25-29-47-27-21-23-39-55(47)61)72-62-42-26-30-48-28-22-24-40-56(48)62)58-44-54(70-8)46-60(66(4,5)6)64(58)74-78-75-67(49-31-13-9-14-32-49,50-33-15-10-16-34-50)68(76-78,51-35-17-11-18-36-51)52-37-19-12-20-38-52/h9-46H,1-8H3
InChIKeyMRWCNKLKKUWTRN-UHFFFAOYSA-N
MW1069.18 g/mol
LogP18.58
Rot. Bonds15

About [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite

[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite (PubChem CID 165162014) has the molecular formula C68H62O8P2 and a molecular weight of 1069.18 g/mol. Its IUPAC name is [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite.

Molecular Properties

Compound Name[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite
PubChem CID165162014
Molecular FormulaC68H62O8P2
Molecular Weight1069.18 g/mol
Exact Mass1068.39
IUPAC Name[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(C(C)(C)C)c1
InChIInChI=1S/C68H62O8P2/c1-65(2,3)59-45-53(69-7)43-57(63(59)73-77(71-61-41-25-29-47-27-21-23-39-55(47)61)72-62-42-26-30-48-28-22-24-40-56(48)62)58-44-54(70-8)46-60(66(4,5)6)64(58)74-78-75-67(49-31-13-9-14-32-49,50-33-15-10-16-34-50)68(76-78,51-35-17-11-18-36-51)52-37-19-12-20-38-52/h9-46H,1-8H3
InChIKeyMRWCNKLKKUWTRN-UHFFFAOYSA-N
XLogP18.58
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.18
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane
CID 175794434
2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
CID 175795609
4,6-ditert-butyl-2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-1,3,2-benzodioxaphosphole
CID 165162008
[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite
CID 140827254
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 161086352
tert-butyl [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]phenyl] carbonate
CID 118530084
4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane
CID 58202650
[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite
CID 15123647
[2,3-ditert-butyl-4-methoxy-6-[5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]phenoxy]-dihydroxy-dinaphthalen-2-yl-λ5-phosphane
CID 175794442
dinaphthalen-1-yl phenyl phosphite
CID 11575113
tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] tert-butyl carbonate
CID 118527911

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite?
The IUPAC name of [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite (CID 165162014) is [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite.
What is the SMILES notation for [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite?
The canonical SMILES for [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(C(C)(C)C)c1.
What is the InChIKey of [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite?
The InChIKey is MRWCNKLKKUWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H62O8P2/c1-65(2,3)59-45-53(69-7)43-57(63(59)73-77(71-61-41-25-29-47-27-21-23-39-55(47)61)72-62-42-26-30-48-28-22-24-40-56(48)62)58-44-54(70-8)46-60(66(4,5)6)64(58)74-78-75-67(49-31-13-9-14-32-49,50-33-15-10-16-34-50)68(76-78,51-35-17-11-18-36-51)52-37-19-12-20-38-52/h9-46H,1-8H3.
What are the key properties of [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite?
[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite has a molecular weight of 1069.18 g/mol, XLogP of 18.58, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite is sourced from PubChem (CID 165162014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).