2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C86H103N7O2S2 — CID 158473548

IUPAC2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc2ccccc2n1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12
InChIInChI=1S/3C12H13N.2C11H12N2.2C7H10O.2C7H10S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*3-9H,1-2H3;2*3-8H,1-2H3;4*3-6H,1-2H3
InChIKeyHGQMOCJEMUHOSE-UHFFFAOYSA-N
MW1330.95 g/mol
LogP26.13
Rot. Bonds9

About 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158473548) has the molecular formula C86H103N7O2S2 and a molecular weight of 1330.95 g/mol. Its IUPAC name is 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Name2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID158473548
Molecular FormulaC86H103N7O2S2
Molecular Weight1330.95 g/mol
Exact Mass1329.76
IUPAC Name2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc2ccccc2n1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12
InChIInChI=1S/3C12H13N.2C11H12N2.2C7H10O.2C7H10S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*3-9H,1-2H3;2*3-8H,1-2H3;4*3-6H,1-2H3
InChIKeyHGQMOCJEMUHOSE-UHFFFAOYSA-N
XLogP26.13
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001330.95
LogP ≤ 526.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-5-[[2-[[4-[[4-fluoro-2-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157512391
tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
(5Z)-5-[[2-[4-[3-(2-aminophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]-6-methoxypyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(7-fluoroquinolin-2-yl)propyl]piperidin-1-yl]-6-methoxypyrimidin-4-yl]methylidene]thiolane-2,4-dione;methane;(5Z)-5-[[2-[4-[3-(5-thiophen-3-ylfuran-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(4-thiophen-3-ylthiophen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 161695600
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118446292
4-Dibenzofuran-3-yl-17-[6-[7-(17-dibenzothiophen-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484205
4-(3-Dibenzofuran-3-ylphenyl)-10-[2-dibenzothiophen-4-yl-4-[17-(3-dibenzothiophen-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]phenyl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
CID 139484354
7-Benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline
CID 141008286
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-5-(furan-2-yl)-2-isoquinolin-1-yl-1-quinolin-2-yl-2-thiophen-2-ylimidazol-4-yl]quinazoline
CID 141025455
1-(1H-benzimidazol-2-yl)-1-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-2-pyridin-2-yl-1-pyrimidin-2-yl-4-quinolin-2-yl-5-thiophen-2-yl-3H-1,3-thiazole
CID 141169766
2-[6-(1-Benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline
CID 141292518
2-[4-(Furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline
CID 141300498
2-[7-[4-[4-Dibenzofuran-4-yl-6-(9-isoquinolin-3-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-9-[4-(3-phenylphenyl)-6-[4-[3-[4-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]dibenzothiophen-1-yl]pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-4-phenylquinazoline
CID 154939357

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158473548) is 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccc2ccccc2n1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc2ccccc2n1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12.
What is the InChIKey of 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is HGQMOCJEMUHOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N.2C11H12N2.2C7H10O.2C7H10S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*3-9H,1-2H3;2*3-8H,1-2H3;4*3-6H,1-2H3.
What are the key properties of 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1330.95 g/mol, XLogP of 26.13, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylisoquinoline;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158473548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).