tris(2-propan-2-ylphenyl)phosphane

C54H66P2 — CID 139152930

IUPACtris(2-propan-2-ylphenyl)phosphane
SMILESCC(C)c1ccccc1P(c1ccccc1C(C)C)c1ccccc1C(C)C.CC(C)c1ccccc1P(c1ccccc1C(C)C)c1ccccc1C(C)C
InChIInChI=1S/2C27H33P/c2*1-19(2)22-13-7-10-16-25(22)28(26-17-11-8-14-23(26)20(3)4)27-18-12-9-15-24(27)21(5)6/h2*7-21H,1-6H3
InChIKeyHIRDTDOUPOTPEC-UHFFFAOYSA-N
MW777.07 g/mol
LogP13.63
Rot. Bonds12

About tris(2-propan-2-ylphenyl)phosphane

tris(2-propan-2-ylphenyl)phosphane (PubChem CID 139152930) has the molecular formula C54H66P2 and a molecular weight of 777.07 g/mol. Its IUPAC name is tris(2-propan-2-ylphenyl)phosphane.

Molecular Properties

Compound Nametris(2-propan-2-ylphenyl)phosphane
PubChem CID139152930
Molecular FormulaC54H66P2
Molecular Weight777.07 g/mol
Exact Mass776.46
IUPAC Nametris(2-propan-2-ylphenyl)phosphane
SMILESCC(C)c1ccccc1P(c1ccccc1C(C)C)c1ccccc1C(C)C.CC(C)c1ccccc1P(c1ccccc1C(C)C)c1ccccc1C(C)C
InChIInChI=1S/2C27H33P/c2*1-19(2)22-13-7-10-16-25(22)28(26-17-11-8-14-23(26)20(3)4)27-18-12-9-15-24(27)21(5)6/h2*7-21H,1-6H3
InChIKeyHIRDTDOUPOTPEC-UHFFFAOYSA-N
XLogP13.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.07
LogP ≤ 513.63
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-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene
CID 87735371
CID 11520809
CID 11520809
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-methanidyl-2-propan-2-ylbenzene;yttrium
CID 58239452
cyclopentyl(dimethyl)phosphane;dimethyl-(2-propan-2-ylphenyl)phosphane;ethane
CID 91270431
ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
CID 11348396
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
bis[2,6-di(propan-2-yl)phenyl]phosphanide
CID 139171604
calcium bis(2-propan-2-ylphenolate)
CID 21315928
lithium;hydride;2-propan-2-ylphenol
CID 175276368

Frequently Asked Questions

What is the IUPAC name of tris(2-propan-2-ylphenyl)phosphane?
The IUPAC name of tris(2-propan-2-ylphenyl)phosphane (CID 139152930) is tris(2-propan-2-ylphenyl)phosphane.
What is the SMILES notation for tris(2-propan-2-ylphenyl)phosphane?
The canonical SMILES for tris(2-propan-2-ylphenyl)phosphane is CC(C)c1ccccc1P(c1ccccc1C(C)C)c1ccccc1C(C)C.CC(C)c1ccccc1P(c1ccccc1C(C)C)c1ccccc1C(C)C.
What is the InChIKey of tris(2-propan-2-ylphenyl)phosphane?
The InChIKey is HIRDTDOUPOTPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H33P/c2*1-19(2)22-13-7-10-16-25(22)28(26-17-11-8-14-23(26)20(3)4)27-18-12-9-15-24(27)21(5)6/h2*7-21H,1-6H3.
What are the key properties of tris(2-propan-2-ylphenyl)phosphane?
tris(2-propan-2-ylphenyl)phosphane has a molecular weight of 777.07 g/mol, XLogP of 13.63, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-propan-2-ylphenyl)phosphane is sourced from PubChem (CID 139152930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).