9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole

C35H59N3 — CID 118587293

About 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole

9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole (PubChem CID 118587293) has the molecular formula C35H59N3 and a molecular weight of 521.88 g/mol. Its IUPAC name is 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole
• PubChem CID: 118587293
• Molecular Formula: C35H59N3
• Molecular Weight: 521.88 g/mol
• Exact Mass: 521.47
• IUPAC Name: 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole
• SMILES: C1CCC(N2C3CCCCC3C3CCC(C4CCC5C6CCNCC6N(C6CCCCC6)C5C4)CC32)CC1
• InChI: InChI=1S/C35H59N3/c1-3-9-26(10-4-1)37-32-14-8-7-13-28(32)29-17-15-24(21-33(29)37)25-16-18-30-31-19-20-36-23-35(31)38(34(30)22-25)27-11-5-2-6-12-27/h24-36H,1-23H2
• InChIKey: BJIJYJSAOHZLJV-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.88
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole?

The IUPAC name of 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole (CID 118587293) is 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole.

What is the SMILES notation for 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole?

The canonical SMILES for 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole is C1CCC(N2C3CCCCC3C3CCC(C4CCC5C6CCNCC6N(C6CCCCC6)C5C4)CC32)CC1.

What is the InChIKey of 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole?

The InChIKey is BJIJYJSAOHZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H59N3/c1-3-9-26(10-4-1)37-32-14-8-7-13-28(32)29-17-15-24(21-33(29)37)25-16-18-30-31-19-20-36-23-35(31)38(34(30)22-25)27-11-5-2-6-12-27/h24-36H,1-23H2.

What are the key properties of 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole?

9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole has a molecular weight of 521.88 g/mol, XLogP of 7.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole is sourced from PubChem (CID 118587293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).