methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C163H187N9OS2 — CID 158841918

IUPACmethane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESC.C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1nc2cccnc2s1
InChIInChI=1S/2C13H14.6C12H13N.2C12H14.C11H12O.C11H12S.C9H10N2S.C8H11N.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-4-3-5-9-6-8;;/h2*3-10H,1-2H3;6*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*1H4
InChIKeyIYIUATMOOLQVPB-UHFFFAOYSA-N
MW2352.48 g/mol
LogP48.71
Rot. Bonds14

About methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158841918) has the molecular formula C163H187N9OS2 and a molecular weight of 2352.48 g/mol. Its IUPAC name is methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Namemethane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID158841918
Molecular FormulaC163H187N9OS2
Molecular Weight2352.48 g/mol
Exact Mass2350.43
IUPAC Namemethane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESC.C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1nc2cccnc2s1
InChIInChI=1S/2C13H14.6C12H13N.2C12H14.C11H12O.C11H12S.C9H10N2S.C8H11N.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-4-3-5-9-6-8;;/h2*3-10H,1-2H3;6*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*1H4
InChIKeyIYIUATMOOLQVPB-UHFFFAOYSA-N
XLogP48.71
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.48
LogP ≤ 548.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
6-(3-Tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
CID 161324597
4-[6-[6-[12-(2-Pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 57958294
8-[3-[8-[4,6-Dimethyl-8-[3-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-4,6-dimethyldibenzothiophen-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58501587
11-(3-Dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417085
7-(3-Dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417103
6-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 89850184
4-[6-[6-[12-(4-Pyridin-2-yl-2,6-dipyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 123214344
20-Dibenzofuran-2-yl-17-methyl-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123705195
3-[10-(20-Oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)anthracen-9-yl]-1,10-phenanthroline
CID 124097681
7-[4-[8-(1,10-Phenanthrolin-2-yl)dibenzofuran-2-yl]triphenylen-2-yl]-2-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,10-phenanthroline
CID 129174822

Frequently Asked Questions

What is the IUPAC name of methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 158841918) is methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is C.C.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccnc1.CC(C)c1ccnc2ccccc12.CC(C)c1nc2cccnc2s1.
What is the InChIKey of methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is IYIUATMOOLQVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14.6C12H13N.2C12H14.C11H12O.C11H12S.C9H10N2S.C8H11N.2CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-4-3-5-9-6-8;;/h2*3-10H,1-2H3;6*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*1H4.
What are the key properties of methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2352.48 g/mol, XLogP of 48.71, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158841918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).