About 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole
2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole (PubChem CID 141224057) has the molecular formula C205H129N39O9S7
and a molecular weight of 3507.02 g/mol. Its IUPAC name is 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole.
Frequently Asked Questions
What is the IUPAC name of 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole (CID 141224057) is 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole is C1=COC(S2(c3cnccn3)(c3ncccn3)(c3ncc[nH]3)C3(c4nccs4)C(c4ncco4)(c4nccc5ccccc45)C(c4ccon4)(c4ncc5ccccc5n4)C(c4ccccn4)(c4cccc5c4[nH]c4ccccc45)C(c4cccnn4)(c4c(-c5cccs5)c(-c5cc6ccccc6o5)c(-c5ccco5)c5nc6c(-c7cc8ccccc8[nH]7)c(-c7ccc[nH]7)ccc6nc45)C3(c3cccc4ccc5c(c34)Sc3ccccc3S5)N(c3cccc4snnc34)C3(c4nc5ccccc5s4)C(c4n[nH]c5ccccc45)(c4cccc5[nH]nnc45)C(c4ncc5[nH]cnc5n4)(C4Oc5ccccc5O4)C(c4ccn5ccccc45)(C4COc5ccccc5O4)C(c4ccc5ccccc5n4)(c4nncc5ccccc45)C32c2cc[nH]n2)C=C1.
What is the InChIKey of 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole?
The InChIKey is TYCFCWIQOVIZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C205H129N39O9S7/c1-7-47-125-118(40-1)85-94-210-182(125)200(188-211-100-107-247-188)199(164-88-106-249-240-164,186-217-112-124-45-5-13-57-137(124)228-186)194(161-76-25-28-89-208-161,133-53-32-51-128-127-49-9-14-58-139(127)226-175(128)133)197(163-77-36-93-221-234-163,174-173(158-75-38-108-254-158)171(154-111-122-43-6-17-65-148(122)250-154)172(153-70-37-105-245-153)179-180(174)227-142-82-81-129(138-62-35-90-207-138)170(177(142)230-179)144-110-121-42-4-12-56-136(121)224-144)202(132-52-31-46-120-79-83-160-181(169(120)132)257-157-73-24-23-72-156(157)256-160)205(200,190-212-101-109-255-190)260(193-215-98-99-216-193,167-115-206-96-97-209-167,168-78-27-30-104-246-168,192-213-91-39-92-214-192)204(165-86-95-222-235-165)198(162-84-80-119-41-3-11-55-135(119)225-162,183-126-48-8-2-44-123(126)113-223-238-183)195(131-87-103-243-102-29-26-63-146(131)243,166-116-248-149-66-18-19-67-150(149)251-166)201(187-218-114-145-185(231-187)220-117-219-145,191-252-151-68-20-21-69-152(151)253-191)196(134-54-33-61-143-176(134)236-241-233-143,184-130-50-10-15-59-140(130)232-239-184)203(204,189-229-141-60-16-22-71-155(141)258-189)244(202)147-64-34-74-159-178(147)237-242-259-159/h1-115,117,166,168,191,207,224,226H,116H2,(H,215,216)(H,222,235)(H,232,239)(H,233,236,241)(H,218,219,220,231).
What are the key properties of 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole?
2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole has a molecular weight of 3507.02 g/mol, XLogP of 42.38, 30 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141224057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).