2',3',4,5-tetramethyl 6'-{[1,1'-biphenyl]-4-carbonyl}-5',5',8',9'-tetramethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

2',3',4,5-tetramethyl 6'-{[1,1'-biphenyl]-4-carbonyl}-5',5',8',9'-tetramethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Formula: C39H35NO9S3

SMILES: COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2C2=C(C=C(C)C(C)=C2)N(C(=O)C2=CC=C(C=C2)C2=CC=CC=C2)C1(C)C)C(=O)OC)C(=O)OC

IUPAC: 2',3',4,5-tetramethyl 6'-{[1,1'-biphenyl]-4-carbonyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

InChI: InChI=1S/C39H35NO9S3/c1-20-18-25-26(19-21(20)2)40(33(41)24-16-14-23(15-17-24)22-12-10-9-11-13-22)38(3,4)32-27(25)39(28(34(42)46-5)29(50-32)35(43)47-6)51-30(36(44)48-7)31(52-39)37(45)49-8/h9-19H,1-8H3

Composition: C (61.81%), H (4.66%), N (1.85%), O (19.00%), S (12.69%)

Molar Mass: 757.89

Atom Count: 87

Heavy Atom Count: 52

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	757.147395233
Formal Charge	0
FSP3	0.26
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	GUAGTURUYBWBPF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	207
Topological Polar Surface Area	125.51
Polarizability	80
Ring Count	6
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C39H35NO9S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00