2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole

C49H30N6O2S2 — CID 141140039

IUPAC2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole
SMILESc1ccc2c(c1)CCN2c1nn(-c2nccs2)c2c(-c3cc4ccccc4s3)c(-c3nc4ccccc4o3)c(-c3cc4ccccc4o3)c(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C49H30N6O2S2/c1-5-15-32-29(12-1)25-34(51-32)41-42(38-26-30-13-3-8-18-36(30)56-38)44(48-52-33-16-6-9-19-37(33)57-48)43(40-27-31-14-4-10-20-39(31)59-40)46-45(41)47(53-55(46)49-50-22-24-58-49)54-23-21-28-11-2-7-17-35(28)54/h1-20,22,24-27,51H,21,23H2
InChIKeyUZVJYVVSOUQUSO-UHFFFAOYSA-N
MW798.95 g/mol
LogP13.43
Rot. Bonds6

About 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole

2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole (PubChem CID 141140039) has the molecular formula C49H30N6O2S2 and a molecular weight of 798.95 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole
PubChem CID141140039
Molecular FormulaC49H30N6O2S2
Molecular Weight798.95 g/mol
Exact Mass798.19
IUPAC Name2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole
SMILESc1ccc2c(c1)CCN2c1nn(-c2nccs2)c2c(-c3cc4ccccc4s3)c(-c3nc4ccccc4o3)c(-c3cc4ccccc4o3)c(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C49H30N6O2S2/c1-5-15-32-29(12-1)25-34(51-32)41-42(38-26-30-13-3-8-18-36(30)56-38)44(48-52-33-16-6-9-19-37(33)57-48)43(40-27-31-14-4-10-20-39(31)59-40)46-45(41)47(53-55(46)49-50-22-24-58-49)54-23-21-28-11-2-7-17-35(28)54/h1-20,22,24-27,51H,21,23H2
InChIKeyUZVJYVVSOUQUSO-UHFFFAOYSA-N
XLogP13.43
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.95
LogP ≤ 513.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
4-(1,3-benzothiazol-2-yl)-5-(1,3-benzoxazol-2-yl)-N-(2,3-dihydroindol-1-yl)-N-(1H-indol-2-yl)-1H-indazol-3-amine
CID 140995183
6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole
CID 141039510
6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-1-(1H-indol-2-yl)-7-(2H-isoindol-1-yl)benzotriazole
CID 141149983
5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole
CID 141186216
2-[4-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-6-(1H-imidazol-2-yl)-1-phenylsulfanyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]-1,3-oxazole
CID 141195186
2-[5-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-4-yl)-6-thiophen-2-yl-1H-indol-4-yl]-1,3-benzoxazole
CID 141195789
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1H-indazol-3-yl)-6-(2H-isoindol-1-yl)phenyl]-1,3-benzoxazole
CID 141209815
2-[6-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-4-(1H-benzotriazol-4-yl)-7-(1H-imidazol-2-yl)-5-(1H-indazol-3-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141279408
4-[5-(1,3-benzothiazol-2-yl)-2-(1-benzothiophen-2-yl)-6-(1,3-benzoxazol-2-yl)-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,2,3-benzoxadiazole
CID 141325134
2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole
CID 141377652
6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-yl-1,3-benzoxazole;6-tert-butyl-2-propan-2-yl-1H-indole;7-tert-butyl-2-propan-2-yl-1H-indole;3,6-ditert-butyl-1-benzofuran;3,6-ditert-butyl-1-benzothiophene;3,6-ditert-butyl-1H-indole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)imidazolidin-2-one;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157120445

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole (CID 141140039) is 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole is c1ccc2c(c1)CCN2c1nn(-c2nccs2)c2c(-c3cc4ccccc4s3)c(-c3nc4ccccc4o3)c(-c3cc4ccccc4o3)c(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole?
The InChIKey is UZVJYVVSOUQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N6O2S2/c1-5-15-32-29(12-1)25-34(51-32)41-42(38-26-30-13-3-8-18-36(30)56-38)44(48-52-33-16-6-9-19-37(33)57-48)43(40-27-31-14-4-10-20-39(31)59-40)46-45(41)47(53-55(46)49-50-22-24-58-49)54-23-21-28-11-2-7-17-35(28)54/h1-20,22,24-27,51H,21,23H2.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole?
2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole has a molecular weight of 798.95 g/mol, XLogP of 13.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-3-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-1-(1,3-thiazol-2-yl)indazol-6-yl]-1,3-benzoxazole is sourced from PubChem (CID 141140039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).