N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine

C74H128N8 — CID 140888857

About N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine

N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (PubChem CID 140888857) has the molecular formula C74H128N8 and a molecular weight of 1129.89 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine.

Molecular Properties

• Compound Name: N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
• PubChem CID: 140888857
• Molecular Formula: C74H128N8
• Molecular Weight: 1129.89 g/mol
• Exact Mass: 1129.03
• IUPAC Name: N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
• SMILES: C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CNCCC2N3C2CCC(C3CCC(C4NCCNC4C4CCC(C5CCC(N6C7CCNCC7C7CC(N(C8CCCCC8)C8CCCCC8)CCC76)CC5)CC4)CC3)CC2)CC1
• InChI: InChI=1S/C74H128N8/c1-5-13-57(14-6-1)79(58-15-7-2-8-16-58)63-37-39-69-65(47-63)67-49-75-43-41-71(67)81(69)61-33-29-53(30-34-61)51-21-25-55(26-22-51)73-74(78-46-45-77-73)56-27-23-52(24-28-56)54-31-35-62(36-32-54)82-70-40-38-64(48-66(70)68-50-76-44-42-72(68)82)80(59-17-9-3-10-18-59)60-19-11-4-12-20-60/h51-78H,1-50H2
• InChIKey: FDHPXGUXFFJRQS-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 61.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.89
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?

The IUPAC name of N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (CID 140888857) is N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine.

What is the SMILES notation for N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?

The canonical SMILES for N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine is C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CNCCC2N3C2CCC(C3CCC(C4NCCNC4C4CCC(C5CCC(N6C7CCNCC7C7CC(N(C8CCCCC8)C8CCCCC8)CCC76)CC5)CC4)CC3)CC2)CC1.

What is the InChIKey of N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?

The InChIKey is FDHPXGUXFFJRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H128N8/c1-5-13-57(14-6-1)79(58-15-7-2-8-16-58)63-37-39-69-65(47-63)67-49-75-43-41-71(67)81(69)61-33-29-53(30-34-61)51-21-25-55(26-22-51)73-74(78-46-45-77-73)56-27-23-52(24-28-56)54-31-35-62(36-32-54)82-70-40-38-64(48-66(70)68-50-76-44-42-72(68)82)80(59-17-9-3-10-18-59)60-19-11-4-12-20-60/h51-78H,1-50H2.

What are the key properties of N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?

N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine has a molecular weight of 1129.89 g/mol, XLogP of 14.24, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dicyclohexyl-5-[4-[4-[3-[4-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]cyclohexyl]piperazin-2-yl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 140888857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).