Molecule

ID:135809

General Information
Structure
MolImage
Molecular Formula
C₅₀H₃₆P₂
Molecular Mass
698.768362
Exact Mass
698.22922441
Charge
0
InChI
InChI=1S/C50H36P2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-28H,29-32H2
InChIKey
CQYMOICHLLQQAH-UHFFFAOYSA-N
Canonic Smiles
c1ccc(c(c1)P1Cc2ccc3c(c2c2c(C1)ccc1c2cccc1)cccc3)P1Cc2ccc3c(c2c2c(C1)ccc1c2cccc1)cccc3
Isomeric Smiles
c1ccc2c(c1)ccc1c2c2c(ccc3c2cccc3)CP(C1)c1ccccc1P1Cc2ccc3ccccc3c2c2c(ccc3c2cccc3)C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
12.573961
LogD (pH = 7.4)
12.6882925
Log P
12.6906
Molar Refractivity
220.0914
Polarizability
93.71492
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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