tris[2,4,6-tri(propan-2-yl)phenyl]phosphane

C45H69P — CID 90713930

IUPACtris[2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(P(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C45H69P/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)46(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18/h19-33H,1-18H3
InChIKeyIYYKKHFUQOTVSD-UHFFFAOYSA-N
MW641.02 g/mol
LogP13.56
Rot. Bonds12

About tris[2,4,6-tri(propan-2-yl)phenyl]phosphane

tris[2,4,6-tri(propan-2-yl)phenyl]phosphane (PubChem CID 90713930) has the molecular formula C45H69P and a molecular weight of 641.02 g/mol. Its IUPAC name is tris[2,4,6-tri(propan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Nametris[2,4,6-tri(propan-2-yl)phenyl]phosphane
PubChem CID90713930
Molecular FormulaC45H69P
Molecular Weight641.02 g/mol
Exact Mass640.51
IUPAC Nametris[2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(P(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C45H69P/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)46(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18/h19-33H,1-18H3
InChIKeyIYYKKHFUQOTVSD-UHFFFAOYSA-N
XLogP13.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.02
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The IUPAC name of tris[2,4,6-tri(propan-2-yl)phenyl]phosphane (CID 90713930) is tris[2,4,6-tri(propan-2-yl)phenyl]phosphane.
What is the SMILES notation for tris[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The canonical SMILES for tris[2,4,6-tri(propan-2-yl)phenyl]phosphane is CC(C)c1cc(C(C)C)c(P(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of tris[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The InChIKey is IYYKKHFUQOTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H69P/c1-25(2)34-19-37(28(7)8)43(38(20-34)29(9)10)46(44-39(30(11)12)21-35(26(3)4)22-40(44)31(13)14)45-41(32(15)16)23-36(27(5)6)24-42(45)33(17)18/h19-33H,1-18H3.
What are the key properties of tris[2,4,6-tri(propan-2-yl)phenyl]phosphane?
tris[2,4,6-tri(propan-2-yl)phenyl]phosphane has a molecular weight of 641.02 g/mol, XLogP of 13.56, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,4,6-tri(propan-2-yl)phenyl]phosphane is sourced from PubChem (CID 90713930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).