cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C61H85N3O2S2 — CID 158359153

IUPACcumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1
InChIInChI=1S/C9H12.3C8H11N.2C7H10O.2C7H10S/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;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/h3-8H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3
InChIKeyGTGGXTCLEHVROP-UHFFFAOYSA-N
MW956.50 g/mol
LogP19.97
Rot. Bonds8

About cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158359153) has the molecular formula C61H85N3O2S2 and a molecular weight of 956.50 g/mol. Its IUPAC name is cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID158359153
Molecular FormulaC61H85N3O2S2
Molecular Weight956.50 g/mol
Exact Mass955.61
IUPAC Namecumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1
InChIInChI=1S/C9H12.3C8H11N.2C7H10O.2C7H10S/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;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/h3-8H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3
InChIKeyGTGGXTCLEHVROP-UHFFFAOYSA-N
XLogP19.97
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.50
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
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
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 16654946
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224809
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778
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

Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158359153) is cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.
What is the InChIKey of cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is GTGGXTCLEHVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.2C7H10O.2C7H10S/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;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/h3-8H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3.
What are the key properties of cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 956.50 g/mol, XLogP of 19.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158359153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).