ethane;tris(4-methylphenyl)phosphane

C23H27P — CID 145151678

IUPACethane;tris(4-methylphenyl)phosphane
SMILESCC.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21P.C2H6/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-2/h4-15H,1-3H3;1-2H3
InChIKeyRLCHRKKLUMHENJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.40
Rot. Bonds3

About ethane;tris(4-methylphenyl)phosphane

ethane;tris(4-methylphenyl)phosphane (PubChem CID 145151678) has the molecular formula C23H27P and a molecular weight of 334.44 g/mol. Its IUPAC name is ethane;tris(4-methylphenyl)phosphane.

Molecular Properties

Compound Nameethane;tris(4-methylphenyl)phosphane
PubChem CID145151678
Molecular FormulaC23H27P
Molecular Weight334.44 g/mol
Exact Mass334.19
IUPAC Nameethane;tris(4-methylphenyl)phosphane
SMILESCC.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21P.C2H6/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-2/h4-15H,1-3H3;1-2H3
InChIKeyRLCHRKKLUMHENJ-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.40
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 ethane;tris(4-methylphenyl)phosphane?
The IUPAC name of ethane;tris(4-methylphenyl)phosphane (CID 145151678) is ethane;tris(4-methylphenyl)phosphane.
What is the SMILES notation for ethane;tris(4-methylphenyl)phosphane?
The canonical SMILES for ethane;tris(4-methylphenyl)phosphane is CC.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;tris(4-methylphenyl)phosphane?
The InChIKey is RLCHRKKLUMHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P.C2H6/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-2/h4-15H,1-3H3;1-2H3.
What are the key properties of ethane;tris(4-methylphenyl)phosphane?
ethane;tris(4-methylphenyl)phosphane has a molecular weight of 334.44 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(4-methylphenyl)phosphane is sourced from PubChem (CID 145151678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).