3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one

3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one

CAS: 50292-95-0

Formula: C42H52N2O2

SMILES: CCCCCCCCN1C(C)=C(C2=CC=CC=C12)C1(OC(=O)C2=CC=CC=C12)C1=C(C)N(CCCCCCCC)C2=CC=CC=C12

IUPAC: 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one

InChI: InChI=1S/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3

Composition: C (81.78%), H (8.50%), N (4.54%), O (5.19%)

Molar Mass: 616.89

Atom Count: 98

Heavy Atom Count: 46

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	616.402878922
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XOEUNIAGBKGZLU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	193.9
Topological Polar Surface Area	36.16
Polarizability	76.61
Ring Count	6
Rotatable Bond Count	16

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99%	<10 Days	50292-95-0		Quote Only