tris[4-(2-methylbutan-2-yl)phenyl]phosphane

C33H45P — CID 12900990

IUPACtris[4-(2-methylbutan-2-yl)phenyl]phosphane
SMILESCCC(C)(C)c1ccc(P(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C33H45P/c1-10-31(4,5)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(6,7)11-2)30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3
InChIKeyINZFSWOOQVUKQU-UHFFFAOYSA-N
MW472.70 g/mol
LogP8.51
Rot. Bonds9

About tris[4-(2-methylbutan-2-yl)phenyl]phosphane

tris[4-(2-methylbutan-2-yl)phenyl]phosphane (PubChem CID 12900990) has the molecular formula C33H45P and a molecular weight of 472.70 g/mol. Its IUPAC name is tris[4-(2-methylbutan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Nametris[4-(2-methylbutan-2-yl)phenyl]phosphane
PubChem CID12900990
Molecular FormulaC33H45P
Molecular Weight472.70 g/mol
Exact Mass472.33
IUPAC Nametris[4-(2-methylbutan-2-yl)phenyl]phosphane
SMILESCCC(C)(C)c1ccc(P(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C33H45P/c1-10-31(4,5)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(6,7)11-2)30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3
InChIKeyINZFSWOOQVUKQU-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.70
LogP ≤ 58.51
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

methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777
3-[4-(2-methylbutan-2-yl)phenoxy]pentan-3-ylphosphane
CID 167255011
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
4-(2-methylbutan-2-yl)benzonitrile
CID 20726493
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene
CID 23466878
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
CID 66259187

Frequently Asked Questions

What is the IUPAC name of tris[4-(2-methylbutan-2-yl)phenyl]phosphane?
The IUPAC name of tris[4-(2-methylbutan-2-yl)phenyl]phosphane (CID 12900990) is tris[4-(2-methylbutan-2-yl)phenyl]phosphane.
What is the SMILES notation for tris[4-(2-methylbutan-2-yl)phenyl]phosphane?
The canonical SMILES for tris[4-(2-methylbutan-2-yl)phenyl]phosphane is CCC(C)(C)c1ccc(P(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1.
What is the InChIKey of tris[4-(2-methylbutan-2-yl)phenyl]phosphane?
The InChIKey is INZFSWOOQVUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45P/c1-10-31(4,5)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(6,7)11-2)30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3.
What are the key properties of tris[4-(2-methylbutan-2-yl)phenyl]phosphane?
tris[4-(2-methylbutan-2-yl)phenyl]phosphane has a molecular weight of 472.70 g/mol, XLogP of 8.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-(2-methylbutan-2-yl)phenyl]phosphane is sourced from PubChem (CID 12900990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).