Molecule

ID:87526

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₈N₆
Molecular Mass
472.58352
Exact Mass
472.23754493
Charge
0
InChI
InChI=1S/C30H28N6/c31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28/h1-20H,31-34H2
InChIKey
LVPYYSKDNVAARK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N(c1ccc(cc1)N)c1ccc(cc1)N(c1ccc(cc1)N)c1ccc(cc1)N
Isomeric Smiles
N(c1ccc(cc1)N)(c1ccc(cc1)N(c1ccc(cc1)N)c1ccc(cc1)N)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
5.0443883
LogD (pH = 7.4)
5.297093
Log P
5.3006625
Molar Refractivity
151.1806
Polarizability
55.5838
Polar Surface Area
110.56
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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