2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

C95H155N5 — CID 159359544

About 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (PubChem CID 159359544) has the molecular formula C95H155N5 and a molecular weight of 1367.32 g/mol. Its IUPAC name is 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.

Molecular Properties

• Compound Name: 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
• PubChem CID: 159359544
• Molecular Formula: C95H155N5
• Molecular Weight: 1367.32 g/mol
• Exact Mass: 1366.23
• IUPAC Name: 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
• SMILES: C1CCC(N2C3CCCCC3C3CCC(C4CCC5C(C4)C4CCCCC4N5C4CCC5C6CCCCC6C6CCCCC6C5C4)CC32)CC1.C1CCC2C(C1)C1CCCCC1C1CC(N3C4CCCCC4C4CC(C5CCC6C7CCCCC7N(C7CCNCC7)C6C5)CCC43)CCC21
• InChI: InChI=1S/C48H78N2.C47H77N3/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)42-25-22-32(29-48(42)49)31-23-27-47-44(28-31)41-19-9-11-21-46(41)50(47)34-24-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)30-34;1-2-11-36-34(9-1)35-10-3-4-12-37(35)42-29-33(19-21-38(36)42)50-45-16-8-6-14-40(45)43-27-30(18-22-46(43)50)31-17-20-41-39-13-5-7-15-44(39)49(47(41)28-31)32-23-25-48-26-24-32/h31-48H,1-30H2;30-48H,1-29H2
• InChIKey: LIIXUZWCENHTPJ-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 24.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1367.32
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

The IUPAC name of 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (CID 159359544) is 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.

What is the SMILES notation for 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

The canonical SMILES for 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is C1CCC(N2C3CCCCC3C3CCC(C4CCC5C(C4)C4CCCCC4N5C4CCC5C6CCCCC6C6CCCCC6C5C4)CC32)CC1.C1CCC2C(C1)C1CCCCC1C1CC(N3C4CCCCC4C4CC(C5CCC6C7CCCCC7N(C7CCNCC7)C6C5)CCC43)CCC21.

What is the InChIKey of 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

The InChIKey is LIIXUZWCENHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H78N2.C47H77N3/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)42-25-22-32(29-48(42)49)31-23-27-47-44(28-31)41-19-9-11-21-46(41)50(47)34-24-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)30-34;1-2-11-36-34(9-1)35-10-3-4-12-37(35)42-29-33(19-21-38(36)42)50-45-16-8-6-14-40(45)43-27-30(18-22-46(43)50)31-17-20-41-39-13-5-7-15-44(39)49(47(41)28-31)32-23-25-48-26-24-32/h31-48H,1-30H2;30-48H,1-29H2.

What are the key properties of 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?

2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole has a molecular weight of 1367.32 g/mol, XLogP of 22.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;2-[9-(1,2,3,4,4a,4b,5,6,7,8,8a,8b,9,10,11,12,12a,12b-octadecahydrotriphenylen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is sourced from PubChem (CID 159359544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).