[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane

C68H92O4P2 — CID 141242594

IUPAC[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)c1cccc(-c2ccccc2)c1P(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C68H92O4P2/c1-61(2,3)47-36-29-37-48(62(4,5)6)56(47)69-73(70-57-49(63(7,8)9)38-30-39-50(57)64(10,11)12)55-44-28-35-46(45-33-26-25-27-34-45)60(55)74(71-58-51(65(13,14)15)40-31-41-52(58)66(16,17)18)72-59-53(67(19,20)21)42-32-43-54(59)68(22,23)24/h25-44H,1-24H3
InChIKeyXRIWETZJRBAYGM-UHFFFAOYSA-N
MW1035.43 g/mol
LogP19.92
Rot. Bonds11

About [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane

[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane (PubChem CID 141242594) has the molecular formula C68H92O4P2 and a molecular weight of 1035.43 g/mol. Its IUPAC name is [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane.

Molecular Properties

Compound Name[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane
PubChem CID141242594
Molecular FormulaC68H92O4P2
Molecular Weight1035.43 g/mol
Exact Mass1034.65
IUPAC Name[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)c1cccc(-c2ccccc2)c1P(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C68H92O4P2/c1-61(2,3)47-36-29-37-48(62(4,5)6)56(47)69-73(70-57-49(63(7,8)9)38-30-39-50(57)64(10,11)12)55-44-28-35-46(45-33-26-25-27-34-45)60(55)74(71-58-51(65(13,14)15)40-31-41-52(58)66(16,17)18)72-59-53(67(19,20)21)42-32-43-54(59)68(22,23)24/h25-44H,1-24H3
InChIKeyXRIWETZJRBAYGM-UHFFFAOYSA-N
XLogP19.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.43
LogP ≤ 519.92
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

1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
chloro-(2,6-ditert-butylphenoxy)-phenylphosphane
CID 54014120
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane
CID 172805245
(2-tert-butyl-6-phenylphenyl)methylphosphane
CID 67259813
9-tert-butyl-1-phenylphenanthrene
CID 166007758
bis(2,6-ditert-butylphenyl) fluoro phosphite
CID 67572261
2-methoxy-1,3-diphenylbenzene
CID 23524590
2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol
CID 87308555

Frequently Asked Questions

What is the IUPAC name of [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane?
The IUPAC name of [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane (CID 141242594) is [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane.
What is the SMILES notation for [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane?
The canonical SMILES for [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane is CC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)c1cccc(-c2ccccc2)c1P(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane?
The InChIKey is XRIWETZJRBAYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H92O4P2/c1-61(2,3)47-36-29-37-48(62(4,5)6)56(47)69-73(70-57-49(63(7,8)9)38-30-39-50(57)64(10,11)12)55-44-28-35-46(45-33-26-25-27-34-45)60(55)74(71-58-51(65(13,14)15)40-31-41-52(58)66(16,17)18)72-59-53(67(19,20)21)42-32-43-54(59)68(22,23)24/h25-44H,1-24H3.
What are the key properties of [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane?
[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane has a molecular weight of 1035.43 g/mol, XLogP of 19.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane is sourced from PubChem (CID 141242594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).