[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane

C45H61P — CID 139466257

IUPAC[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2P(c2ccccc2)C(C)C)c(C(C)C)c1
InChIInChI=1S/C45H61P/c1-27(2)34-23-39(29(5)6)43(40(24-34)30(7)8)37-21-18-22-38(45(37)46(33(13)14)36-19-16-15-17-20-36)44-41(31(9)10)25-35(28(3)4)26-42(44)32(11)12/h15-33H,1-14H3
InChIKeyWTZCUXLKQQDXBD-UHFFFAOYSA-N
MW632.96 g/mol
LogP13.60
Rot. Bonds11

About [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane

[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane (PubChem CID 139466257) has the molecular formula C45H61P and a molecular weight of 632.96 g/mol. Its IUPAC name is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane.

Molecular Properties

Compound Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
PubChem CID139466257
Molecular FormulaC45H61P
Molecular Weight632.96 g/mol
Exact Mass632.45
IUPAC Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2P(c2ccccc2)C(C)C)c(C(C)C)c1
InChIInChI=1S/C45H61P/c1-27(2)34-23-39(29(5)6)43(40(24-34)30(7)8)37-21-18-22-38(45(37)46(33(13)14)36-19-16-15-17-20-36)44-41(31(9)10)25-35(28(3)4)26-42(44)32(11)12/h15-33H,1-14H3
InChIKeyWTZCUXLKQQDXBD-UHFFFAOYSA-N
XLogP13.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.96
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)
CID 175358759
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CID 151062491
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
CID 102481833
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
1-[2,4,6-tri(propan-2-yl)phenyl]-9H-carbazole
CID 175005160
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
CID 121225630
CID 166443687
CID 166443687
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
acetic acid;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium
CID 139233880
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane?
The IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane (CID 139466257) is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane.
What is the SMILES notation for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane?
The canonical SMILES for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane is CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2P(c2ccccc2)C(C)C)c(C(C)C)c1.
What is the InChIKey of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane?
The InChIKey is WTZCUXLKQQDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H61P/c1-27(2)34-23-39(29(5)6)43(40(24-34)30(7)8)37-21-18-22-38(45(37)46(33(13)14)36-19-16-15-17-20-36)44-41(31(9)10)25-35(28(3)4)26-42(44)32(11)12/h15-33H,1-14H3.
What are the key properties of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane?
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane has a molecular weight of 632.96 g/mol, XLogP of 13.60, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane is sourced from PubChem (CID 139466257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).