[1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite

C59H64O6P2 — CID 89246234

IUPAC[1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite
SMILESCCC1=C(OP(Oc2cc(C)ccc2C(C)C)Oc2ccc3ccccc3c2-c2c(OP(Oc3cc(C)ccc3C(C)C)Oc3cc(C)ccc3C(C)C)ccc3ccccc23)CC(C)C=C1
InChIInChI=1S/C59H64O6P2/c1-12-44-25-21-40(8)33-54(44)62-66(63-55-34-41(9)22-28-47(55)37(2)3)60-52-31-26-45-17-13-15-19-50(45)58(52)59-51-20-16-14-18-46(51)27-32-53(59)61-67(64-56-35-42(10)23-29-48(56)38(4)5)65-57-36-43(11)24-30-49(57)39(6)7/h13-32,34-40H,12,33H2,1-11H3
InChIKeyWGXXIYYTTOZFTN-UHFFFAOYSA-N
MW931.10 g/mol
LogP18.68
Rot. Bonds17

About [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite

[1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite (PubChem CID 89246234) has the molecular formula C59H64O6P2 and a molecular weight of 931.10 g/mol. Its IUPAC name is [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite.

Molecular Properties

Compound Name[1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite
PubChem CID89246234
Molecular FormulaC59H64O6P2
Molecular Weight931.10 g/mol
Exact Mass930.42
IUPAC Name[1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite
SMILESCCC1=C(OP(Oc2cc(C)ccc2C(C)C)Oc2ccc3ccccc3c2-c2c(OP(Oc3cc(C)ccc3C(C)C)Oc3cc(C)ccc3C(C)C)ccc3ccccc23)CC(C)C=C1
InChIInChI=1S/C59H64O6P2/c1-12-44-25-21-40(8)33-54(44)62-66(63-55-34-41(9)22-28-47(55)37(2)3)60-52-31-26-45-17-13-15-19-50(45)58(52)59-51-20-16-14-18-46(51)27-32-53(59)61-67(64-56-35-42(10)23-29-48(56)38(4)5)65-57-36-43(11)24-30-49(57)39(6)7/h13-32,34-40H,12,33H2,1-11H3
InChIKeyWGXXIYYTTOZFTN-UHFFFAOYSA-N
XLogP18.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.10
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite?
The IUPAC name of [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite (CID 89246234) is [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite.
What is the SMILES notation for [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite?
The canonical SMILES for [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite is CCC1=C(OP(Oc2cc(C)ccc2C(C)C)Oc2ccc3ccccc3c2-c2c(OP(Oc3cc(C)ccc3C(C)C)Oc3cc(C)ccc3C(C)C)ccc3ccccc23)CC(C)C=C1.
What is the InChIKey of [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite?
The InChIKey is WGXXIYYTTOZFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H64O6P2/c1-12-44-25-21-40(8)33-54(44)62-66(63-55-34-41(9)22-28-47(55)37(2)3)60-52-31-26-45-17-13-15-19-50(45)58(52)59-51-20-16-14-18-46(51)27-32-53(59)61-67(64-56-35-42(10)23-29-48(56)38(4)5)65-57-36-43(11)24-30-49(57)39(6)7/h13-32,34-40H,12,33H2,1-11H3.
What are the key properties of [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite?
[1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite has a molecular weight of 931.10 g/mol, XLogP of 18.68, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite is sourced from PubChem (CID 89246234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).