1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole

C24H25NS2 — CID 102441175

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccs2)ccc1-c1cccs1
InChIInChI=1S/C24H25NS2/c1-16(2)18-8-5-9-19(17(3)4)24(18)25-20(22-10-6-14-26-22)12-13-21(25)23-11-7-15-27-23/h5-17H,1-4H3
InChIKeyXINBLYYNAWBEFE-UHFFFAOYSA-N
MW391.61 g/mol
LogP8.18
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole

1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole (PubChem CID 102441175) has the molecular formula C24H25NS2 and a molecular weight of 391.61 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole
PubChem CID102441175
Molecular FormulaC24H25NS2
Molecular Weight391.61 g/mol
Exact Mass391.14
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccs2)ccc1-c1cccs1
InChIInChI=1S/C24H25NS2/c1-16(2)18-8-5-9-19(17(3)4)24(18)25-20(22-10-6-14-26-22)12-13-21(25)23-11-7-15-27-23/h5-17H,1-4H3
InChIKeyXINBLYYNAWBEFE-UHFFFAOYSA-N
XLogP8.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.61
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,4,5,6-pentafluorophenyl)-2,5-dithiophen-2-ylpyrrole
CID 101416590
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
2-(3-propan-2-ylphenyl)thiophene
CID 57011596
[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper
CID 177472224
3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one
CID 82516740
3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
2-propan-2-ylthiophene
CID 178128598
CID 50911030
CID 50911030
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
3-(2-aminopropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyridin-2-one
CID 82516804
2-[5-[1-[2,6-di(propan-2-yl)phenyl]-5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
CID 102441177

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole (CID 102441175) is 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole is CC(C)c1cccc(C(C)C)c1-n1c(-c2cccs2)ccc1-c1cccs1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole?
The InChIKey is XINBLYYNAWBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NS2/c1-16(2)18-8-5-9-19(17(3)4)24(18)25-20(22-10-6-14-26-22)12-13-21(25)23-11-7-15-27-23/h5-17H,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole?
1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole has a molecular weight of 391.61 g/mol, XLogP of 8.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2,5-dithiophen-2-ylpyrrole is sourced from PubChem (CID 102441175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).