[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane

C45H53O2P — CID 153339770

IUPAC[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1P(C)c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C45H53O2P/c1-28(2)32-19-14-20-33(29(3)4)42(32)37-23-16-24-38(43-34(30(5)6)21-15-22-35(43)31(7)8)45(37)48(11)41-27-13-12-18-36(41)44-39(46-9)25-17-26-40(44)47-10/h12-31H,1-11H3
InChIKeyLJDSIFQAFVYAQT-UHFFFAOYSA-N
MW656.89 g/mol
LogP12.26
Rot. Bonds11

About [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane

[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane (PubChem CID 153339770) has the molecular formula C45H53O2P and a molecular weight of 656.89 g/mol. Its IUPAC name is [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane.

Molecular Properties

Compound Name[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane
PubChem CID153339770
Molecular FormulaC45H53O2P
Molecular Weight656.89 g/mol
Exact Mass656.38
IUPAC Name[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1P(C)c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C45H53O2P/c1-28(2)32-19-14-20-33(29(3)4)42(32)37-23-16-24-38(43-34(30(5)6)21-15-22-35(43)31(7)8)45(37)48(11)41-27-13-12-18-36(41)44-39(46-9)25-17-26-40(44)47-10/h12-31H,1-11H3
InChIKeyLJDSIFQAFVYAQT-UHFFFAOYSA-N
XLogP12.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.89
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
CID 71713664
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-(2,6-dimethoxyphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 102444217
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165
N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide
CID 57032986
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 101430775
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane?
The IUPAC name of [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane (CID 153339770) is [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane.
What is the SMILES notation for [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane?
The canonical SMILES for [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane is COc1cccc(OC)c1-c1ccccc1P(C)c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane?
The InChIKey is LJDSIFQAFVYAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53O2P/c1-28(2)32-19-14-20-33(29(3)4)42(32)37-23-16-24-38(43-34(30(5)6)21-15-22-35(43)31(7)8)45(37)48(11)41-27-13-12-18-36(41)44-39(46-9)25-17-26-40(44)47-10/h12-31H,1-11H3.
What are the key properties of [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane?
[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane has a molecular weight of 656.89 g/mol, XLogP of 12.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-[2-(2,6-dimethoxyphenyl)phenyl]-methylphosphane is sourced from PubChem (CID 153339770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).