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3'-[4'-formyl-5-(4-formylphenyl)-2,4,6-trimethyl-[1,1'-biphenyl]-3-yl]-5'-(4-formylphenyl)-2',4',6'-trimethyl-[1,1'-biphenyl]-4-carbaldehyde

3'-[4'-formyl-5-(4-formylphenyl)-2,4,6-trimethyl-[1,1'-biphenyl]-3-yl]-5'-(4-formylphenyl)-2',4',6'-trimethyl-[1,1'-biphenyl]-4-carbaldehyde

Formula: C46H38O4

SMILES: CC1=C(C(C)=C(C(C)=C1C1=CC=C(C=O)C=C1)C1=C(C)C(=C(C)C(=C1C)C1=CC=C(C=O)C=C1)C1=CC=C(C=O)C=C1)C1=CC=C(C=O)C=C1

IUPAC: 3'-[4'-formyl-5-(4-formylphenyl)-2,4,6-trimethyl-[1,1'-biphenyl]-3-yl]-5'-(4-formylphenyl)-2',4',6'-trimethyl-[1,1'-biphenyl]-4-carbaldehyde

InChI: InChI=1S/C46H38O4/c1-27-41(37-15-7-33(23-47)8-16-37)29(3)45(30(4)42(27)38-17-9-34(24-48)10-18-38)46-31(5)43(39-19-11-35(25-49)12-20-39)28(2)44(32(46)6)40-21-13-36(26-50)14-22-40/h7-26H,1-6H3

Composition: C (84.38%), H (5.85%), O (9.77%)

Molar Mass: 654.806

Atom Count: 88

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 654.277009704
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZOTSXCRJKLOHJL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 208.32
Topological Polar Surface Area 68.28
Polarizability 83.66
Ring Count 6
Rotatable Bond Count 8

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