[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane

C40H36O4P2 — CID 141260368

IUPAC[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane
SMILESCc1ccccc1OP(Oc1ccccc1C)c1ccccc1-c1ccccc1P(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C40H36O4P2/c1-29-17-5-11-23-35(29)41-45(42-36-24-12-6-18-30(36)2)39-27-15-9-21-33(39)34-22-10-16-28-40(34)46(43-37-25-13-7-19-31(37)3)44-38-26-14-8-20-32(38)4/h5-28H,1-4H3
InChIKeyAYQAWIQESOQBCA-UHFFFAOYSA-N
MW642.67 g/mol
LogP10.78
Rot. Bonds11

About [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane

[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane (PubChem CID 141260368) has the molecular formula C40H36O4P2 and a molecular weight of 642.67 g/mol. Its IUPAC name is [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane.

Molecular Properties

Compound Name[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane
PubChem CID141260368
Molecular FormulaC40H36O4P2
Molecular Weight642.67 g/mol
Exact Mass642.21
IUPAC Name[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane
SMILESCc1ccccc1OP(Oc1ccccc1C)c1ccccc1-c1ccccc1P(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C40H36O4P2/c1-29-17-5-11-23-35(29)41-45(42-36-24-12-6-18-30(36)2)39-27-15-9-21-33(39)34-22-10-16-28-40(34)46(43-37-25-13-7-19-31(37)3)44-38-26-14-8-20-32(38)4/h5-28H,1-4H3
InChIKeyAYQAWIQESOQBCA-UHFFFAOYSA-N
XLogP10.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.67
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(2-methylphenyl) phosphite dichloride
CID 23333528
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
methoxy-(2-methylphenoxy)-phenylphosphane
CID 174536732
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
CID 58850505
CID 58850505
(2-methylphenoxy)methanone
CID 20594594
bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane
CID 23352982
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane
CID 91385138
bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane
CID 142544268
bis(palladium);bis(tris(2-methylphenyl)phosphane)
CID 175817621
tris(1-methoxy-2-methylbenzene);propane
CID 158759517

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane?
The IUPAC name of [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane (CID 141260368) is [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane.
What is the SMILES notation for [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane?
The canonical SMILES for [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane is Cc1ccccc1OP(Oc1ccccc1C)c1ccccc1-c1ccccc1P(Oc1ccccc1C)Oc1ccccc1C.
What is the InChIKey of [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane?
The InChIKey is AYQAWIQESOQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O4P2/c1-29-17-5-11-23-35(29)41-45(42-36-24-12-6-18-30(36)2)39-27-15-9-21-33(39)34-22-10-16-28-40(34)46(43-37-25-13-7-19-31(37)3)44-38-26-14-8-20-32(38)4/h5-28H,1-4H3.
What are the key properties of [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane?
[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane has a molecular weight of 642.67 g/mol, XLogP of 10.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane is sourced from PubChem (CID 141260368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).