1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene

C₁₃₈H₁₁₉N₃OS₃ — CID 158175421

About 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene

1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene (PubChem CID 158175421) has the molecular formula C₁₃₈H₁₁₉N₃OS₃ and a molecular weight of 1931.69 g/mol. Its IUPAC name is 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene.

Molecular Properties

• Compound Name: 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene
• PubChem CID: 158175421
• Molecular Formula: C₁₃₈H₁₁₉N₃OS₃
• Molecular Weight: 1931.69 g/mol
• Exact Mass: 1929.85
• IUPAC Name: 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene
• SMILES: C1=C(c2ccccc2)Cc2c1sc(-c1ccccc1)c2-c1ccccc1.CC1=Cc2c(c(-c3ccccc3)c(C)n2C)C1.CC1=Cc2oc(C)c(-c3ccccc3)c2C1.CC1=Cc2sc(C)c(-c3ccccc3)c2C1.Cc1c(-c2ccccc2)c2c(n1C)C=C(c1ccccc1)C2.Cc1sc2c(c1-c1ccccc1)CC(c1ccccc1)=C2.Cn1c2c(c(-c3ccccc3)c1-c1ccccc1)CC(c1ccccc1)=C2
• InChI: InChI=1S/C26H21N.C25H18S.C21H19N.C20H16S.C16H17N.C15H14O.C15H14S/c1-27-24-18-22(19-11-5-2-6-12-19)17-23(24)25(20-13-7-3-8-14-20)26(27)21-15-9-4-10-16-21;1-4-10-18(11-5-1)21-16-22-23(17-21)26-25(20-14-8-3-9-15-20)24(22)19-12-6-2-7-13-19;1-15-21(17-11-7-4-8-12-17)19-13-18(14-20(19)22(15)2)16-9-5-3-6-10-16;1-14-20(16-10-6-3-7-11-16)18-12-17(13-19(18)21-14)15-8-4-2-5-9-15;1-11-9-14-15(10-11)17(3)12(2)16(14)13-7-5-4-6-8-13;2*1-10-8-13-14(9-10)16-11(2)15(13)12-6-4-3-5-7-12/h2-16,18H,17H2,1H3;1-15,17H,16H2;3-12,14H,13H2,1-2H3;2-11,13H,12H2,1H3;4-8,10H,9H2,1-3H3;2*3-7,9H,8H2,1-2H3
• InChIKey: FXYCDWPUEGWCJH-UHFFFAOYSA-N
• XLogP: 37.41
• TPSA: 27.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1931.69
LogP ≤ 5	37.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene?

The IUPAC name of 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene (CID 158175421) is 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene.

What is the SMILES notation for 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene?

The canonical SMILES for 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene is C1=C(c2ccccc2)Cc2c1sc(-c1ccccc1)c2-c1ccccc1.CC1=Cc2c(c(-c3ccccc3)c(C)n2C)C1.CC1=Cc2oc(C)c(-c3ccccc3)c2C1.CC1=Cc2sc(C)c(-c3ccccc3)c2C1.Cc1c(-c2ccccc2)c2c(n1C)C=C(c1ccccc1)C2.Cc1sc2c(c1-c1ccccc1)CC(c1ccccc1)=C2.Cn1c2c(c(-c3ccccc3)c1-c1ccccc1)CC(c1ccccc1)=C2.

What is the InChIKey of 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene?

The InChIKey is FXYCDWPUEGWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N.C25H18S.C21H19N.C20H16S.C16H17N.C15H14O.C15H14S/c1-27-24-18-22(19-11-5-2-6-12-19)17-23(24)25(20-13-7-3-8-14-20)26(27)21-15-9-4-10-16-21;1-4-10-18(11-5-1)21-16-22-23(17-21)26-25(20-14-8-3-9-15-20)24(22)19-12-6-2-7-13-19;1-15-21(17-11-7-4-8-12-17)19-13-18(14-20(19)22(15)2)16-9-5-3-6-10-16;1-14-20(16-10-6-3-7-11-16)18-12-17(13-19(18)21-14)15-8-4-2-5-9-15;1-11-9-14-15(10-11)17(3)12(2)16(14)13-7-5-4-6-8-13;2*1-10-8-13-14(9-10)16-11(2)15(13)12-6-4-3-5-7-12/h2-16,18H,17H2,1H3;1-15,17H,16H2;3-12,14H,13H2,1-2H3;2-11,13H,12H2,1H3;4-8,10H,9H2,1-3H3;2*3-7,9H,8H2,1-2H3.

What are the key properties of 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene?

1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene has a molecular weight of 1931.69 g/mol, XLogP of 37.41, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3,5-diphenyl-4H-cyclopenta[b]pyrrole;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]furan;2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene;2-methyl-3,5-diphenyl-4H-cyclopenta[b]thiophene;1-methyl-2,3,5-triphenyl-4H-cyclopenta[b]pyrrole;1,2,5-trimethyl-3-phenyl-4H-cyclopenta[b]pyrrole;2,3,5-triphenyl-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 158175421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158175421 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.