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

C77H131N5 — CID 140888487

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

N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine (PubChem CID 140888487) has the molecular formula C77H131N5 and a molecular weight of 1126.93 g/mol. Its IUPAC name is N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine.

Molecular Properties

• Compound Name: N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine
• PubChem CID: 140888487
• Molecular Formula: C77H131N5
• Molecular Weight: 1126.93 g/mol
• Exact Mass: 1126.04
• IUPAC Name: N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine
• SMILES: C1CCC(C2CCC(C3CC(C4CCC(N5C6CCCCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)CC(C4CCC(N5C6CCCCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)C3)CN2)CC1
• InChI: InChI=1S/C77H131N5/c1-6-20-56(21-7-1)73-45-38-57(53-78-73)60-49-58(54-34-39-65(40-35-54)81-74-32-18-16-30-69(74)71-51-67(43-46-76(71)81)79(61-22-8-2-9-23-61)62-24-10-3-11-25-62)48-59(50-60)55-36-41-66(42-37-55)82-75-33-19-17-31-70(75)72-52-68(44-47-77(72)82)80(63-26-12-4-13-27-63)64-28-14-5-15-29-64/h54-78H,1-53H2
• InChIKey: XIJXHJNIZAUXLP-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 24.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.93
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine (CID 140888487) is N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine.

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

The canonical SMILES for N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine is C1CCC(C2CCC(C3CC(C4CCC(N5C6CCCCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)CC(C4CCC(N5C6CCCCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)C3)CN2)CC1.

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

The InChIKey is XIJXHJNIZAUXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H131N5/c1-6-20-56(21-7-1)73-45-38-57(53-78-73)60-49-58(54-34-39-65(40-35-54)81-74-32-18-16-30-69(74)71-51-67(43-46-76(71)81)79(61-22-8-2-9-23-61)62-24-10-3-11-25-62)48-59(50-60)55-36-41-66(42-37-55)82-75-33-19-17-31-70(75)72-52-68(44-47-77(72)82)80(63-26-12-4-13-27-63)64-28-14-5-15-29-64/h54-78H,1-53H2.

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

N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine has a molecular weight of 1126.93 g/mol, XLogP of 18.84, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dicyclohexyl-9-[4-[3-(6-cyclohexylpiperidin-3-yl)-5-[4-[3-(dicyclohexylamino)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-amine is sourced from PubChem (CID 140888487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).