[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

C68H64O8P2 — CID 175794434

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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(O)(O)(c2cccc3ccccc23)c2cccc3ccccc23)c(OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(C(C)(C)C)c1
InChIInChI=1S/C68H64O8P2/c1-65(2,3)59-45-53(71-7)43-57(63(59)73-77-75-67(49-31-13-9-14-32-49,50-33-15-10-16-34-50)68(76-77,51-35-17-11-18-36-51)52-37-19-12-20-38-52)58-44-54(72-8)46-60(66(4,5)6)64(58)74-78(69,70,61-41-25-29-47-27-21-23-39-55(47)61)62-42-26-30-48-28-22-24-40-56(48)62/h9-46,69-70H,1-8H3
InChIKeyDZEFHKLWDJQXKS-UHFFFAOYSA-N
MW1071.20 g/mol
LogP16.12
Rot. Bonds13

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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane

[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 (PubChem CID 175794434) has the molecular formula C68H64O8P2 and a molecular weight of 1071.20 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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane.

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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane
PubChem CID175794434
Molecular FormulaC68H64O8P2
Molecular Weight1071.20 g/mol
Exact Mass1070.41
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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(O)(O)(c2cccc3ccccc23)c2cccc3ccccc23)c(OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(C(C)(C)C)c1
InChIInChI=1S/C68H64O8P2/c1-65(2,3)59-45-53(71-7)43-57(63(59)73-77-75-67(49-31-13-9-14-32-49,50-33-15-10-16-34-50)68(76-77,51-35-17-11-18-36-51)52-37-19-12-20-38-52)58-44-54(72-8)46-60(66(4,5)6)64(58)74-78(69,70,61-41-25-29-47-27-21-23-39-55(47)61)62-42-26-30-48-28-22-24-40-56(48)62/h9-46,69-70H,1-8H3
InChIKeyDZEFHKLWDJQXKS-UHFFFAOYSA-N
XLogP16.12
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.20
LogP ≤ 516.12
H-Bond Donors ≤ 52
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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane with MolForge

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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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane?
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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane (CID 175794434) 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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane.
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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane?
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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(O)(O)(c2cccc3ccccc23)c2cccc3ccccc23)c(OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane?
The InChIKey is DZEFHKLWDJQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H64O8P2/c1-65(2,3)59-45-53(71-7)43-57(63(59)73-77-75-67(49-31-13-9-14-32-49,50-33-15-10-16-34-50)68(76-77,51-35-17-11-18-36-51)52-37-19-12-20-38-52)58-44-54(72-8)46-60(66(4,5)6)64(58)74-78(69,70,61-41-25-29-47-27-21-23-39-55(47)61)62-42-26-30-48-28-22-24-40-56(48)62/h9-46,69-70H,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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane?
[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 has a molecular weight of 1071.20 g/mol, XLogP of 16.12, 13 rotatable bonds, 2 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-methoxyphenoxy]-dihydroxy-dinaphthalen-1-yl-λ5-phosphane is sourced from PubChem (CID 175794434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).