About 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole
2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole (PubChem CID 141247465) has the molecular formula C111H72N22O4S2
and a molecular weight of 1842.08 g/mol. Its IUPAC name is 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole.
Analyze 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole?
The IUPAC name of 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole (CID 141247465) is 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole is c1ccc(C2(c3ncccn3)N(c3[nH]ccc3-c3cnc4ccccc4n3)C3(c4cc[nH]n4)C(c4cc5ccccc5[nH]4)(c4cc5ccccc5o4)C(c4ccc5ccccc5n4)(c4cccc5[nH]nnc45)C(c4ccco4)(c4nccc5ccccc45)C(c4ncco4)(c4cccs4)C3(c3cc4ccccc4s3)C(c3ccon3)(c3cc4ccccc4[nH]3)C2(c2cnccn2)c2cccnn2)nc1.
What is the InChIKey of 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole?
The InChIKey is LYGBJMJLAURAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H72N22O4S2/c1-7-28-74-68(22-1)44-52-115-99(74)107(94-40-19-58-134-94)103(76-29-17-35-82-98(76)130-132-127-82,86-43-42-69-23-2-8-30-77(69)124-86)106(92-63-71-25-4-10-32-79(71)126-92,95-64-72-26-5-13-36-84(72)137-95)111(90-46-54-122-129-90)110(97-65-73-27-6-14-37-85(73)139-97,108(107,96-41-20-61-138-96)102-119-57-60-135-102)105(88-47-59-136-131-88,91-62-70-24-3-9-31-78(70)125-91)104(87-39-18-51-121-128-87,93-67-112-55-56-114-93)109(89-38-15-16-48-113-89,101-117-49-21-50-118-101)133(111)100-75(45-53-116-100)83-66-120-80-33-11-12-34-81(80)123-83/h1-67,116,125-126H,(H,122,129)(H,127,130,132).
What are the key properties of 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole?
2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole has a molecular weight of 1842.08 g/mol, XLogP of 21.56, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole is sourced from PubChem (CID 141247465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).