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

C47H65N3OS — CID 161043689

IUPACcumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1
InChIInChI=1S/C9H12.3C8H11N.C7H10O.C7H10S/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;2*1-6(2)7-4-3-5-8-7/h3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyUBFHDKOWEMNHRG-UHFFFAOYSA-N
MW720.12 g/mol
LogP14.70
Rot. Bonds6

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

cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene (PubChem CID 161043689) has the molecular formula C47H65N3OS and a molecular weight of 720.12 g/mol. Its IUPAC name is cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
PubChem CID161043689
Molecular FormulaC47H65N3OS
Molecular Weight720.12 g/mol
Exact Mass719.48
IUPAC Namecumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1
InChIInChI=1S/C9H12.3C8H11N.C7H10O.C7H10S/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;2*1-6(2)7-4-3-5-8-7/h3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyUBFHDKOWEMNHRG-UHFFFAOYSA-N
XLogP14.70
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.12
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
CID 46229631
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-(5-Chlorofuran-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 46229231
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-2-ylpyridine
CID 46229630
4-(5-Chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine
CID 46229649
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

Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The IUPAC name of cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene (CID 161043689) is cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene.
What is the SMILES notation for cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The canonical SMILES for cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene is CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.
What is the InChIKey of cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The InChIKey is UBFHDKOWEMNHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.C7H10O.C7H10S/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;2*1-6(2)7-4-3-5-8-7/h3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene has a molecular weight of 720.12 g/mol, XLogP of 14.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene is sourced from PubChem (CID 161043689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).