bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one

C115H151Cl5N6O7S2 — CID 160640917

About bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one

bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one (PubChem CID 160640917) has the molecular formula C115H151Cl5N6O7S2 and a molecular weight of 1970.91 g/mol. Its IUPAC name is bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one.

Molecular Properties

• Compound Name: bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one
• PubChem CID: 160640917
• Molecular Formula: C115H151Cl5N6O7S2
• Molecular Weight: 1970.91 g/mol
• Exact Mass: 1966.95
• IUPAC Name: bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one
• SMILES: CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2occc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2occc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2sccc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2sccc2C1
• InChI: InChI=1S/C23H31ClN2O.2C23H30ClNO2.2C23H30ClNOS/c1-17(27)23(2,3)13-7-6-10-22(19-8-4-5-9-20(19)24)26-15-12-21-18(16-26)11-14-25-21;4*1-17(26)23(2,3)13-7-6-10-21(19-8-4-5-9-20(19)24)25-14-11-22-18(16-25)12-15-27-22/h4-5,8-9,11,14,22,25H,6-7,10,12-13,15-16H2,1-3H3;4*4-5,8-9,12,15,21H,6-7,10-11,13-14,16H2,1-3H3
• InChIKey: RJDULSXCZHCOFZ-UHFFFAOYSA-N
• XLogP: 31.71
• TPSA: 143.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 40
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.91
LogP ≤ 5	31.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one?

The IUPAC name of bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one (CID 160640917) is bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one.

What is the SMILES notation for bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one?

The canonical SMILES for bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one is CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2occc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2occc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2sccc2C1.CC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2sccc2C1.

What is the InChIKey of bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one?

The InChIKey is RJDULSXCZHCOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O.2C23H30ClNO2.2C23H30ClNOS/c1-17(27)23(2,3)13-7-6-10-22(19-8-4-5-9-20(19)24)26-15-12-21-18(16-26)11-14-25-21;4*1-17(26)23(2,3)13-7-6-10-21(19-8-4-5-9-20(19)24)25-14-11-22-18(16-25)12-15-27-22/h4-5,8-9,11,14,22,25H,6-7,10,12-13,15-16H2,1-3H3;4*4-5,8-9,12,15,21H,6-7,10-11,13-14,16H2,1-3H3.

What are the key properties of bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one?

bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one has a molecular weight of 1970.91 g/mol, XLogP of 31.71, 40 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one is sourced from PubChem (CID 160640917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).