5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole

C51H86N6 — CID 140888984

About 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole

5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole (PubChem CID 140888984) has the molecular formula C51H86N6 and a molecular weight of 783.29 g/mol. Its IUPAC name is 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole
• PubChem CID: 140888984
• Molecular Formula: C51H86N6
• Molecular Weight: 783.29 g/mol
• Exact Mass: 782.69
• IUPAC Name: 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole
• SMILES: C1CCC(N2C3CCCCC3C3CC4C(CC32)C2CC(C3CCC5C(C3)C3CCNCC3N5C3CCC(C5CCNNC5)CC3)CCC2N4C2CCCCC2)CC1
• InChI: InChI=1S/C51H86N6/c1-3-9-37(10-4-1)55-46-14-8-7-13-40(46)44-29-50-45(30-49(44)55)43-28-35(18-22-48(43)56(50)38-11-5-2-6-12-38)34-17-21-47-42(27-34)41-24-25-52-32-51(41)57(47)39-19-15-33(16-20-39)36-23-26-53-54-31-36/h33-54H,1-32H2
• InChIKey: DBIWOEZOEHFFJO-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 45.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.29
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole (CID 140888984) is 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole.

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

The canonical SMILES for 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole is C1CCC(N2C3CCCCC3C3CC4C(CC32)C2CC(C3CCC5C(C3)C3CCNCC3N5C3CCC(C5CCNNC5)CC3)CCC2N4C2CCCCC2)CC1.

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

The InChIKey is DBIWOEZOEHFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H86N6/c1-3-9-37(10-4-1)55-46-14-8-7-13-40(46)44-29-50-45(30-49(44)55)43-28-35(18-22-48(43)56(50)38-11-5-2-6-12-38)34-17-21-47-42(27-34)41-24-25-52-32-51(41)57(47)39-19-15-33(16-20-39)36-23-26-53-54-31-36/h33-54H,1-32H2.

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

5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole has a molecular weight of 783.29 g/mol, XLogP of 9.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-dicyclohexyl-2-[9-[4-(diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-6-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 140888984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).