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

C70H115F5N6 — CID 140888662

About N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (PubChem CID 140888662) has the molecular formula C70H115F5N6 and a molecular weight of 1135.72 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
• PubChem CID: 140888662
• Molecular Formula: C70H115F5N6
• Molecular Weight: 1135.72 g/mol
• Exact Mass: 1134.91
• IUPAC Name: N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
• SMILES: FC1C(F)C(F)C(C2CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)C2)C(F)C1F
• InChI: InChI=1S/C70H115F5N6/c71-66-65(67(72)69(74)70(75)68(66)73)48-38-46(44-21-25-53(26-22-44)80-61-31-29-55(40-57(61)59-42-76-35-33-63(59)80)78(49-13-5-1-6-14-49)50-15-7-2-8-16-50)37-47(39-48)45-23-27-54(28-24-45)81-62-32-30-56(41-58(62)60-43-77-36-34-64(60)81)79(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h44-70,76-77H,1-43H2
• InChIKey: MUCCMTUEIOICRW-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 37.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.72
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (CID 140888662) is N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine is FC1C(F)C(F)C(C2CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)CC(C3CCC(N4C5CCNCC5C5CC(N(C6CCCCC6)C6CCCCC6)CCC54)CC3)C2)C(F)C1F.

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

The InChIKey is MUCCMTUEIOICRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H115F5N6/c71-66-65(67(72)69(74)70(75)68(66)73)48-38-46(44-21-25-53(26-22-44)80-61-31-29-55(40-57(61)59-42-76-35-33-63(59)80)78(49-13-5-1-6-14-49)50-15-7-2-8-16-50)37-47(39-48)45-23-27-54(28-24-45)81-62-32-30-56(41-58(62)60-43-77-36-34-64(60)81)79(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h44-70,76-77H,1-43H2.

What are the key properties of N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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 1135.72 g/mol, XLogP of 15.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]-5-(2,3,4,5,6-pentafluorocyclohexyl)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 140888662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).