2-phenyl-1-(4-phenylphenyl)triphosphepane

C22H23P3 — CID 87473392

IUPAC2-phenyl-1-(4-phenylphenyl)triphosphepane
SMILESc1ccc(-c2ccc(P3CCCCPP3c3ccccc3)cc2)cc1
InChIInChI=1S/C22H23P3/c1-3-9-19(10-4-1)20-13-15-21(16-14-20)24-18-8-7-17-23-25(24)22-11-5-2-6-12-22/h1-6,9-16,23H,7-8,17-18H2
InChIKeyZJPNSFUZSHRWGH-UHFFFAOYSA-N
MW380.35 g/mol
LogP6.57
Rot. Bonds3

About 2-phenyl-1-(4-phenylphenyl)triphosphepane

2-phenyl-1-(4-phenylphenyl)triphosphepane (PubChem CID 87473392) has the molecular formula C22H23P3 and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-phenyl-1-(4-phenylphenyl)triphosphepane.

Molecular Properties

Compound Name2-phenyl-1-(4-phenylphenyl)triphosphepane
PubChem CID87473392
Molecular FormulaC22H23P3
Molecular Weight380.35 g/mol
Exact Mass380.10
IUPAC Name2-phenyl-1-(4-phenylphenyl)triphosphepane
SMILESc1ccc(-c2ccc(P3CCCCPP3c3ccccc3)cc2)cc1
InChIInChI=1S/C22H23P3/c1-3-9-19(10-4-1)20-13-15-21(16-14-20)24-18-8-7-17-23-25(24)22-11-5-2-6-12-22/h1-6,9-16,23H,7-8,17-18H2
InChIKeyZJPNSFUZSHRWGH-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.35
LogP ≤ 56.57
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 2-phenyl-1-(4-phenylphenyl)triphosphepane?
The IUPAC name of 2-phenyl-1-(4-phenylphenyl)triphosphepane (CID 87473392) is 2-phenyl-1-(4-phenylphenyl)triphosphepane.
What is the SMILES notation for 2-phenyl-1-(4-phenylphenyl)triphosphepane?
The canonical SMILES for 2-phenyl-1-(4-phenylphenyl)triphosphepane is c1ccc(-c2ccc(P3CCCCPP3c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-1-(4-phenylphenyl)triphosphepane?
The InChIKey is ZJPNSFUZSHRWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P3/c1-3-9-19(10-4-1)20-13-15-21(16-14-20)24-18-8-7-17-23-25(24)22-11-5-2-6-12-22/h1-6,9-16,23H,7-8,17-18H2.
What are the key properties of 2-phenyl-1-(4-phenylphenyl)triphosphepane?
2-phenyl-1-(4-phenylphenyl)triphosphepane has a molecular weight of 380.35 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-phenylphenyl)triphosphepane is sourced from PubChem (CID 87473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).