phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane

C45H49O9P3 — CID 88851633

IUPACphenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane
SMILESCOc1cc(OC)c(P(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1.c1ccc(Pc2ccccc2Pc2ccccc2)cc1
InChIInChI=1S/C27H33O9P.C18H16P2/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h10-15H,1-9H3;1-14,19-20H
InChIKeyXRZUGVBOGSRFBB-UHFFFAOYSA-N
MW826.80 g/mol
LogP6.47
Rot. Bonds16

About phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane

phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane (PubChem CID 88851633) has the molecular formula C45H49O9P3 and a molecular weight of 826.80 g/mol. Its IUPAC name is phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane.

Molecular Properties

Compound Namephenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane
PubChem CID88851633
Molecular FormulaC45H49O9P3
Molecular Weight826.80 g/mol
Exact Mass826.26
IUPAC Namephenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane
SMILESCOc1cc(OC)c(P(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1.c1ccc(Pc2ccccc2Pc2ccccc2)cc1
InChIInChI=1S/C27H33O9P.C18H16P2/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h10-15H,1-9H3;1-14,19-20H
InChIKeyXRZUGVBOGSRFBB-UHFFFAOYSA-N
XLogP6.47
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.80
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane?
The IUPAC name of phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane (CID 88851633) is phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane.
What is the SMILES notation for phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane?
The canonical SMILES for phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane is COc1cc(OC)c(P(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1.c1ccc(Pc2ccccc2Pc2ccccc2)cc1.
What is the InChIKey of phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane?
The InChIKey is XRZUGVBOGSRFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O9P.C18H16P2/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h10-15H,1-9H3;1-14,19-20H.
What are the key properties of phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane?
phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane has a molecular weight of 826.80 g/mol, XLogP of 6.47, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenylphosphanylphenyl)phosphane;tris(2,4,6-trimethoxyphenyl)phosphane is sourced from PubChem (CID 88851633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).