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4-[12,24,25-tris(4-formylphenyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,¹?]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]benzaldehyde

4-[12,24,25-tris(4-formylphenyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,¹?]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]benzaldehyde

Formula: C48H40O10

SMILES: O=CC1=CC=C(C=C1)C1=CC2=C(OCCOCCOC3=C(OCCOCCO2)C=C(C2=CC=C(C=O)C=C2)C(=C3)C2=CC=C(C=O)C=C2)C=C1C1=CC=C(C=O)C=C1

IUPAC: 4-[12,24,25-tris(4-formylphenyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,¹?]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]benzaldehyde

InChI: InChI=1S/C48H40O10/c49-29-33-1-9-37(10-2-33)41-25-45-46(26-42(41)38-11-3-34(30-50)4-12-38)56-22-18-54-20-24-58-48-28-44(40-15-7-36(32-52)8-16-40)43(39-13-5-35(31-51)6-14-39)27-47(48)57-23-19-53-17-21-55-45/h1-16,25-32H,17-24H2

Composition: C (74.21%), H (5.19%), O (20.60%)

Molar Mass: 776.838

Atom Count: 98

Heavy Atom Count: 58

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 776.262147488
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey VTZGTZDLVDJVIB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 223
Topological Polar Surface Area 123.66
Polarizability 89.44
Ring Count 7
Rotatable Bond Count 8

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