[4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane

C16H20P2 — CID 118204495

IUPAC[4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane
SMILESCc1ccc(-c2ccc(PP)c(C)c2C)cc1C
InChIInChI=1S/C16H20P2/c1-10-5-6-14(9-11(10)2)15-7-8-16(18-17)13(4)12(15)3/h5-9,18H,17H2,1-4H3
InChIKeyKMJPHFSAOIKXJN-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.68
Rot. Bonds2

About [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane

[4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane (PubChem CID 118204495) has the molecular formula C16H20P2 and a molecular weight of 274.28 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane
PubChem CID118204495
Molecular FormulaC16H20P2
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane
SMILESCc1ccc(-c2ccc(PP)c(C)c2C)cc1C
InChIInChI=1S/C16H20P2/c1-10-5-6-14(9-11(10)2)15-7-8-16(18-17)13(4)12(15)3/h5-9,18H,17H2,1-4H3
InChIKeyKMJPHFSAOIKXJN-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 54.68
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 [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane?
The IUPAC name of [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane (CID 118204495) is [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane.
What is the SMILES notation for [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane?
The canonical SMILES for [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane is Cc1ccc(-c2ccc(PP)c(C)c2C)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane?
The InChIKey is KMJPHFSAOIKXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20P2/c1-10-5-6-14(9-11(10)2)15-7-8-16(18-17)13(4)12(15)3/h5-9,18H,17H2,1-4H3.
What are the key properties of [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane?
[4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane has a molecular weight of 274.28 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)-2,3-dimethylphenyl]-phosphanylphosphane is sourced from PubChem (CID 118204495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).