2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene

C155H240N10O2S2 — CID 159729918

About 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene

2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene (PubChem CID 159729918) has the molecular formula C155H240N10O2S2 and a molecular weight of 2339.83 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene.

Molecular Properties

• Compound Name: 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene
• PubChem CID: 159729918
• Molecular Formula: C155H240N10O2S2
• Molecular Weight: 2339.83 g/mol
• Exact Mass: 2337.84
• IUPAC Name: 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene
• SMILES: C1=C2CCCCC2=CC1.C1=C2CCNCC2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1CC2CCNCC2C1.C1CCC2CCCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)=NCN=2.c1ccc2c(c1)=NCN=2.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1
• InChI: InChI=1S/C9H16.C9H12.C9H8.C8H15N.C8H11N.2C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.13C4H10/c3*1-2-5-9-7-3-6-8(9)4-1;2*1-2-7-4-5-9-6-8(7)3-1;4*1-2-4-8-7(3-1)5-6-9-8;4*1-2-4-7-6(3-1)8-5-9-7;13*1-4(2)3/h8-9H,1-7H2;6-7H,1-5H2;1-2,4-7H,3H2;7-9H,1-6H2;2-3,9H,1,4-6H2;2*1-5H,6H2;2*1-6H;2*1-4H,5H2;2*1-5H;13*4H,1-3H3
• InChIKey: NBCMBGMTOSNLGR-UHFFFAOYSA-N
• XLogP: 40.14
• TPSA: 150.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.83
LogP ≤ 5	40.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene?

The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene (CID 159729918) is 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene.

What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene?

The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene is C1=C2CCCCC2=CC1.C1=C2CCNCC2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1CC2CCNCC2C1.C1CCC2CCCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)=NCN=2.c1ccc2c(c1)=NCN=2.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.

What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene?

The InChIKey is NBCMBGMTOSNLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C9H12.C9H8.C8H15N.C8H11N.2C8H7N.C8H6O.C8H6S.2C7H6N2.C7H5NO.C7H5NS.13C4H10/c3*1-2-5-9-7-3-6-8(9)4-1;2*1-2-7-4-5-9-6-8(7)3-1;4*1-2-4-8-7(3-1)5-6-9-8;4*1-2-4-7-6(3-1)8-5-9-7;13*1-4(2)3/h8-9H,1-7H2;6-7H,1-5H2;1-2,4-7H,3H2;7-9H,1-6H2;2-3,9H,1,4-6H2;2*1-5H,6H2;2*1-6H;2*1-4H,5H2;2*1-5H;13*4H,1-3H3.

What are the key properties of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene?

2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene has a molecular weight of 2339.83 g/mol, XLogP of 40.14, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2H-benzimidazole);1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2H-indene;bis(2H-indole);tridecakis(2-methylpropane);2,3,4,6-tetrahydro-1H-cyclopenta[c]pyridine;4,5,6,7-tetrahydro-2H-indene is sourced from PubChem (CID 159729918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).