Compound C45H19N3O4

6,42,48-triazatridecacyclo[25.18.2.139,42.02,22.05,21.07,20.08,17.010,15.024,46.028,41.031,40.033,38.043,47]octatetraconta-1(45),2(22),3,5(21),7(20),8(17),10,12,14,18,24(46),25,27(47),28(41),29,31(40),33,35,37,39(48),43-henicosaene-9,16,23,32-tetrone

CAS: 2278-50-4

Molecular Formula	`C45H19N3O4`
Molecular Weight	665.6 g/mol
LogP	8.9
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	665.1376
Heavy Atoms	52
Complexity	1610.0

Chemical Identifiers

CAS Number	2278-50-4
SMILES	`C1=CC=C2C(=C1)C3=NN4C5=CC=C6C7=C(C8=C(C=C7)NC9=C8C=CC1=C9C(=O)C7=CC=CC=C7C1=O)C(=O)C1=C6C5=C(C=C1)C1=C4C3=C(C2=O)C=C1`
InChIKey	`VUSWQWZUVYOZAY-UHFFFAOYSA-N`

📖 Product Overview

Compound C45H19N3O4 (CAS: 2278-50-4) is a chemical compound with molecular formula C45H19N3O4 and molecular weight 665.6 g/mol. Its IUPAC systematic name is 6,42,48-triazatridecacyclo[25.18.2.139,42.02,22.05,21.07,20.08,17.010,15.024,46.028,41.031,40.033,38.043,47]octatetraconta-1(45),2(22),3,5(21),7(20),8(17),10,12,14,18,24(46),25,27(47),28(41),29,31(40),33,35,37,39(48),43-henicosaene-9,16,23,32-tetrone. LogP 8.9 Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 0 Exact Mass 665.1376 Heavy Atoms 52 Complexity 1610.0 InChI Key: VUSWQWZUVYOZAY-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C3=NN4C5=CC=C6C7=C(C8=C(C=C7)NC9=C8C=CC1=C9C(=O)C7=CC=CC=C7C1=O)C(=O)C1=C6C5=C(C=C1)C1=C4C3=C(C2=O)C=C1.

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