ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

C96H148N4OS3 — CID 158987925

IUPACethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
SMILESC=C(c1ccccc1)C(C)C.CC.CC.CC.CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1
InChIInChI=1S/C11H16.C11H14.C10H14.3C9H13N.C8H12O.2C8H12S.C7H11NS.3C2H6/c2*1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;3*1-2/h4-10H,1-3H3;4-9H,3H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3*1-2H3
InChIKeyJPUMBPGANCGKBY-UHFFFAOYSA-N
MW1470.47 g/mol
LogP30.32
Rot. Bonds20

About ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (PubChem CID 158987925) has the molecular formula C96H148N4OS3 and a molecular weight of 1470.47 g/mol. Its IUPAC name is ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.

Molecular Properties

Compound Nameethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
PubChem CID158987925
Molecular FormulaC96H148N4OS3
Molecular Weight1470.47 g/mol
Exact Mass1469.08
IUPAC Nameethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
SMILESC=C(c1ccccc1)C(C)C.CC.CC.CC.CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1
InChIInChI=1S/C11H16.C11H14.C10H14.3C9H13N.C8H12O.2C8H12S.C7H11NS.3C2H6/c2*1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;3*1-2/h4-10H,1-3H3;4-9H,3H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3*1-2H3
InChIKeyJPUMBPGANCGKBY-UHFFFAOYSA-N
XLogP30.32
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001470.47
LogP ≤ 530.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene with MolForge

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Related Compounds

2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
tert-butylbenzene;tert-butylcyclohexane;1-tert-butyl-4-methylbenzene;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;bis((4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole);4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;2-tert-butylpyrazine;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)furan;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene
CID 160133659
Methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate
CID 122378752
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
6-[3-[3-([1]Benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 90250493
N-[4-[5-[4-(N-pyridin-3-yl-4-thiophen-2-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-thiophen-2-ylphenyl)pyridin-3-amine
CID 122659583
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The IUPAC name of ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (CID 158987925) is ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.
What is the SMILES notation for ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The canonical SMILES for ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is C=C(c1ccccc1)C(C)C.CC.CC.CC.CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1.
What is the InChIKey of ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The InChIKey is JPUMBPGANCGKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C11H14.C10H14.3C9H13N.C8H12O.2C8H12S.C7H11NS.3C2H6/c2*1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;3*1-2/h4-10H,1-3H3;4-9H,3H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;3*1-2H3.
What are the key properties of ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene has a molecular weight of 1470.47 g/mol, XLogP of 30.32, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is sourced from PubChem (CID 158987925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).