bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane

C112H150Cl5N7O7S — CID 158655606

IUPACbis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane
SMILESC.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.OCC(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/2C24H33ClN2O.2C24H32ClNO2.C15H16ClNOS.CH4/c2*1-18(28)24(2,3)14-8-4-5-11-23(20-9-6-7-10-21(20)25)27-16-13-22-19(17-27)12-15-26-22;2*1-18(27)24(2,3)14-8-4-5-11-22(20-9-6-7-10-21(20)25)26-15-12-23-19(17-26)13-16-28-23;16-13-4-2-1-3-12(13)14(10-18)17-7-5-15-11(9-17)6-8-19-15;/h2*6-7,9-10,12,15,23,26H,4-5,8,11,13-14,16-17H2,1-3H3;2*6-7,9-10,13,16,22H,4-5,8,11-12,14-15,17H2,1-3H3;1-4,6,8,14,18H,5,7,9-10H2;1H4
InChIKeyICCCZDKSQFPQCK-UHFFFAOYSA-N
MW1915.81 g/mol
LogP29.99
Rot. Bonds39

About bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane

bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane (PubChem CID 158655606) has the molecular formula C112H150Cl5N7O7S and a molecular weight of 1915.81 g/mol. Its IUPAC name is bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane.

Molecular Properties

Compound Namebis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane
PubChem CID158655606
Molecular FormulaC112H150Cl5N7O7S
Molecular Weight1915.81 g/mol
Exact Mass1911.98
IUPAC Namebis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane
SMILESC.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.OCC(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/2C24H33ClN2O.2C24H32ClNO2.C15H16ClNOS.CH4/c2*1-18(28)24(2,3)14-8-4-5-11-23(20-9-6-7-10-21(20)25)27-16-13-22-19(17-27)12-15-26-22;2*1-18(27)24(2,3)14-8-4-5-11-22(20-9-6-7-10-21(20)25)26-15-12-23-19(17-26)13-16-28-23;16-13-4-2-1-3-12(13)14(10-18)17-7-5-15-11(9-17)6-8-19-15;/h2*6-7,9-10,12,15,23,26H,4-5,8,11,13-14,16-17H2,1-3H3;2*6-7,9-10,13,16,22H,4-5,8,11-12,14-15,17H2,1-3H3;1-4,6,8,14,18H,5,7,9-10H2;1H4
InChIKeyICCCZDKSQFPQCK-UHFFFAOYSA-N
XLogP29.99
TPSA162.57 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds39
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.81
LogP ≤ 529.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane with MolForge

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Related Compounds

bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one
CID 157211340
9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane
CID 157821193
4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole
CID 158348134
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
8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate
CID 161236456
9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one;bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);bis(8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one)
CID 161692921
CID 161773922
CID 161773922
CID 161832400
CID 161832400
8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;ethyl 7-(2-chlorophenyl)-7-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethylheptanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate
CID 161886350

Frequently Asked Questions

What is the IUPAC name of bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane?
The IUPAC name of bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane (CID 158655606) is bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane.
What is the SMILES notation for bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane?
The canonical SMILES for bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane is C.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.CC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.OCC(c1ccccc1Cl)N1CCc2sccc2C1.
What is the InChIKey of bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane?
The InChIKey is ICCCZDKSQFPQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H33ClN2O.2C24H32ClNO2.C15H16ClNOS.CH4/c2*1-18(28)24(2,3)14-8-4-5-11-23(20-9-6-7-10-21(20)25)27-16-13-22-19(17-27)12-15-26-22;2*1-18(27)24(2,3)14-8-4-5-11-22(20-9-6-7-10-21(20)25)26-15-12-23-19(17-26)13-16-28-23;16-13-4-2-1-3-12(13)14(10-18)17-7-5-15-11(9-17)6-8-19-15;/h2*6-7,9-10,12,15,23,26H,4-5,8,11,13-14,16-17H2,1-3H3;2*6-7,9-10,13,16,22H,4-5,8,11-12,14-15,17H2,1-3H3;1-4,6,8,14,18H,5,7,9-10H2;1H4.
What are the key properties of bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane?
bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane has a molecular weight of 1915.81 g/mol, XLogP of 29.99, 39 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;bis(9-(2-chlorophenyl)-3,3-dimethyl-9-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)nonan-2-one);methane is sourced from PubChem (CID 158655606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).