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4-[3,5,7-tris(4-formylphenyl)adamantan-1-yl]benzaldehyde

4-[3,5,7-tris(4-formylphenyl)adamantan-1-yl]benzaldehyde

CAS: 645401-15-6

Formula: C38H32O4

SMILES: O=CC1=CC=C(C=C1)C12CC3(CC(C1)(CC(C2)(C3)C1=CC=C(C=O)C=C1)C1=CC=C(C=O)C=C1)C1=CC=C(C=O)C=C1

IUPAC: 4-[3,5,7-tris(4-formylphenyl)adamantan-1-yl]benzaldehyde

InChI: InChI=1S/C38H32O4/c39-17-27-1-9-31(10-2-27)35-21-36(32-11-3-28(18-40)4-12-32)24-37(22-35,33-13-5-29(19-41)6-14-33)26-38(23-35,25-36)34-15-7-30(20-42)8-16-34/h1-20H,21-26H2

Composition: C (82.58%), H (5.84%), O (11.58%)

Molar Mass: 552.67

Atom Count: 74

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 552.23005951
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KWZAZGHIMYCCIH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 166.81
Topological Polar Surface Area 68.28
Polarizability 62.62
Ring Count 7
Rotatable Bond Count 8

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