[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane

C34H47P — CID 172805245

IUPAC[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane
SMILESCC(C)(C)c1ccccc1-c1cccc(P(C(C)(C)C)C(C)(C)C)c1-c1ccccc1C(C)(C)C
InChIInChI=1S/C34H47P/c1-31(2,3)27-21-15-13-18-24(27)25-20-17-23-29(35(33(7,8)9)34(10,11)12)30(25)26-19-14-16-22-28(26)32(4,5)6/h13-23H,1-12H3
InChIKeyRKNIYJPZBWKOPN-UHFFFAOYSA-N
MW486.72 g/mol
LogP10.32
Rot. Bonds3

About [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane

[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane (PubChem CID 172805245) has the molecular formula C34H47P and a molecular weight of 486.72 g/mol. Its IUPAC name is [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane.

Molecular Properties

Compound Name[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane
PubChem CID172805245
Molecular FormulaC34H47P
Molecular Weight486.72 g/mol
Exact Mass486.34
IUPAC Name[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane
SMILESCC(C)(C)c1ccccc1-c1cccc(P(C(C)(C)C)C(C)(C)C)c1-c1ccccc1C(C)(C)C
InChIInChI=1S/C34H47P/c1-31(2,3)27-21-15-13-18-24(27)25-20-17-23-29(35(33(7,8)9)34(10,11)12)30(25)26-19-14-16-22-28(26)32(4,5)6/h13-23H,1-12H3
InChIKeyRKNIYJPZBWKOPN-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.72
LogP ≤ 510.32
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

1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2-tert-butyl-6-ditert-butylphosphanylphenol
CID 138583672
1-(2-tert-butylphenyl)-2,3,4,5,6-pentafluorobenzene
CID 54238945
tris(2-tert-butylphenyl)phosphane
CID 11475937
[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane
CID 141242594
1-(2-tert-butylphenyl)-2,3-dichlorobenzene
CID 67807125
ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
CID 153323041
bromocopper;bis(ditert-butyl-(2-phenylphenyl)phosphane)
CID 11308987
ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
CID 11348396
1-(2,4-ditert-butylphenyl)biphenylene;phosphorous acid
CID 174967149
bis[2,4-bis(2-tert-butylphenyl)-3-phenylphenoxy]phosphane
CID 67204106
CID 175472927
CID 175472927

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane?
The IUPAC name of [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane (CID 172805245) is [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane.
What is the SMILES notation for [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane?
The canonical SMILES for [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane is CC(C)(C)c1ccccc1-c1cccc(P(C(C)(C)C)C(C)(C)C)c1-c1ccccc1C(C)(C)C.
What is the InChIKey of [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane?
The InChIKey is RKNIYJPZBWKOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47P/c1-31(2,3)27-21-15-13-18-24(27)25-20-17-23-29(35(33(7,8)9)34(10,11)12)30(25)26-19-14-16-22-28(26)32(4,5)6/h13-23H,1-12H3.
What are the key properties of [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane?
[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane has a molecular weight of 486.72 g/mol, XLogP of 10.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane is sourced from PubChem (CID 172805245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).