5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

C196H218N22O2S4 — CID 158247897

IUPAC5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/5C12H13N.3C11H12N2.C11H13N.2C11H12O.3C10H12N2.4C10H11NS/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h5*3-9H,1-2H3;3*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyGGIUUMAJLGADGP-UHFFFAOYSA-N
MW3042.32 g/mol
LogP56.64
Rot. Bonds18

About 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline

5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (PubChem CID 158247897) has the molecular formula C196H218N22O2S4 and a molecular weight of 3042.32 g/mol. Its IUPAC name is 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.

Molecular Properties

Compound Name5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
PubChem CID158247897
Molecular FormulaC196H218N22O2S4
Molecular Weight3042.32 g/mol
Exact Mass3039.65
IUPAC Name5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ncc2ccccc2n1
InChIInChI=1S/5C12H13N.3C11H12N2.C11H13N.2C11H12O.3C10H12N2.4C10H11NS/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h5*3-9H,1-2H3;3*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyGGIUUMAJLGADGP-UHFFFAOYSA-N
XLogP56.64
TPSA318.03 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003042.32
LogP ≤ 556.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The IUPAC name of 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline (CID 158247897) is 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline.
What is the SMILES notation for 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The canonical SMILES for 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ncc2ccccc2n1.
What is the InChIKey of 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
The InChIKey is GGIUUMAJLGADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H13N.3C11H12N2.C11H13N.2C11H12O.3C10H12N2.4C10H11NS/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;2*1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h5*3-9H,1-2H3;3*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3.
What are the key properties of 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline?
5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline has a molecular weight of 3042.32 g/mol, XLogP of 56.64, 18 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline is sourced from PubChem (CID 158247897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).