bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane

C58H58P4 — CID 91385138

IUPACbis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane
SMILESCc1ccccc1P(c1ccccc1C)C(C(P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C58H58P4/c1-41-25-9-17-33-49(41)59(50-34-18-10-26-42(50)2)57(60(51-35-19-11-27-43(51)3)52-36-20-12-28-44(52)4)58(61(53-37-21-13-29-45(53)5)54-38-22-14-30-46(54)6)62(55-39-23-15-31-47(55)7)56-40-24-16-32-48(56)8/h9-40,57-58H,1-8H3
InChIKeyZWKWPSFZEKGLMQ-UHFFFAOYSA-N
MW879.00 g/mol
LogP12.64
Rot. Bonds13

About bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane

bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane (PubChem CID 91385138) has the molecular formula C58H58P4 and a molecular weight of 879.00 g/mol. Its IUPAC name is bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane.

Molecular Properties

Compound Namebis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane
PubChem CID91385138
Molecular FormulaC58H58P4
Molecular Weight879.00 g/mol
Exact Mass878.35
IUPAC Namebis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane
SMILESCc1ccccc1P(c1ccccc1C)C(C(P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C58H58P4/c1-41-25-9-17-33-49(41)59(50-34-18-10-26-42(50)2)57(60(51-35-19-11-27-43(51)3)52-36-20-12-28-44(52)4)58(61(53-37-21-13-29-45(53)5)54-38-22-14-30-46(54)6)62(55-39-23-15-31-47(55)7)56-40-24-16-32-48(56)8/h9-40,57-58H,1-8H3
InChIKeyZWKWPSFZEKGLMQ-UHFFFAOYSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.00
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane with MolForge

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

Launch Full Analysis

Related Compounds

1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane
CID 90111167
bis(palladium);bis(tris(2-methylphenyl)phosphane)
CID 175817621
CID 58850505
CID 58850505
bis(2-methylphenyl)phosphinite
CID 135999862
dichloropalladium;tris(2-methylphenyl)phosphane
CID 13170117
dichloropalladium;bis(tris(2-methylphenyl)phosphane)
CID 10876480
methoxy-(2-methylphenyl)-phenylphosphane
CID 151818468
1,2-xylene
CID 173422016
1,1-bis[bis(2-methylphenyl)phosphanyl]butyl-bis(2-methylphenyl)phosphane
CID 90109790
(2-methylphenyl)-dipropoxyphosphane
CID 69053142
silver;1,2-xylene
CID 158486133
benzene;1,2-xylene
CID 161464493

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane?
The IUPAC name of bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane (CID 91385138) is bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane.
What is the SMILES notation for bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane?
The canonical SMILES for bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane is Cc1ccccc1P(c1ccccc1C)C(C(P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C.
What is the InChIKey of bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane?
The InChIKey is ZWKWPSFZEKGLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H58P4/c1-41-25-9-17-33-49(41)59(50-34-18-10-26-42(50)2)57(60(51-35-19-11-27-43(51)3)52-36-20-12-28-44(52)4)58(61(53-37-21-13-29-45(53)5)54-38-22-14-30-46(54)6)62(55-39-23-15-31-47(55)7)56-40-24-16-32-48(56)8/h9-40,57-58H,1-8H3.
What are the key properties of bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane?
bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane has a molecular weight of 879.00 g/mol, XLogP of 12.64, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane is sourced from PubChem (CID 91385138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).