7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

C63H105N7 — CID 140888630

About 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (PubChem CID 140888630) has the molecular formula C63H105N7 and a molecular weight of 960.58 g/mol. Its IUPAC name is 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
• PubChem CID: 140888630
• Molecular Formula: C63H105N7
• Molecular Weight: 960.58 g/mol
• Exact Mass: 959.84
• IUPAC Name: 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
• SMILES: C1CCC(C2CCC(C3NC(N4C5CCCCC5C5CC6C7CCCCC7N(C7CCCCC7)C6CC54)NC(N4C5CCCCC5C5CC6C7CCCCC7N(C7CCCCC7)C6CC54)N3)CC2)CC1
• InChI: InChI=1S/C63H105N7/c1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-30-16-12-26-47(55)51-36-49-45-24-10-14-28-53(45)67(57(49)38-59(51)69)43-20-6-2-7-21-43)66-63(65-61)70-56-31-17-13-27-48(56)52-37-50-46-25-11-15-29-54(46)68(58(50)39-60(52)70)44-22-8-3-9-23-44/h40-66H,1-39H2
• InChIKey: UNCIEDNUUQPRCD-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 49.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.58
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

The IUPAC name of 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (CID 140888630) is 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.

What is the SMILES notation for 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

The canonical SMILES for 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is C1CCC(C2CCC(C3NC(N4C5CCCCC5C5CC6C7CCCCC7N(C7CCCCC7)C6CC54)NC(N4C5CCCCC5C5CC6C7CCCCC7N(C7CCCCC7)C6CC54)N3)CC2)CC1.

What is the InChIKey of 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

The InChIKey is UNCIEDNUUQPRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H105N7/c1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-30-16-12-26-47(55)51-36-49-45-24-10-14-28-53(45)67(57(49)38-59(51)69)43-20-6-2-7-21-43)66-63(65-61)70-56-31-17-13-27-48(56)52-37-50-46-25-11-15-29-54(46)68(58(50)39-60(52)70)44-22-8-3-9-23-44/h40-66H,1-39H2.

What are the key properties of 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?

7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole has a molecular weight of 960.58 g/mol, XLogP of 12.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-5-[4-(7-cyclohexyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazol-5-yl)-6-(4-cyclohexylcyclohexyl)-1,3,5-triazinan-2-yl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 140888630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).