10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine

C64H106N6O2 — CID 170534021

About 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine

10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine (PubChem CID 170534021) has the molecular formula C64H106N6O2 and a molecular weight of 991.59 g/mol. Its IUPAC name is 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine.

Molecular Properties

• Compound Name: 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine
• PubChem CID: 170534021
• Molecular Formula: C64H106N6O2
• Molecular Weight: 991.59 g/mol
• Exact Mass: 990.84
• IUPAC Name: 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine
• SMILES: C1CCC(C2CCCCC2C2C(N3C4CCCCC4C4CCCCC43)C(N3C4CCCCC4OC4CCCCC43)NC(N3C4CCCCC4OC4CCCCC43)C2N2C3CCCCC3C3CCCCC32)NC1
• InChI: InChI=1S/C64H106N6O2/c1-2-26-46(41(21-1)47-27-19-20-40-65-47)60-61(67-48-28-7-3-22-42(48)43-23-4-8-29-49(43)67)63(69-52-32-11-15-36-56(52)71-57-37-16-12-33-53(57)69)66-64(70-54-34-13-17-38-58(54)72-59-39-18-14-35-55(59)70)62(60)68-50-30-9-5-24-44(50)45-25-6-10-31-51(45)68/h41-66H,1-40H2
• InChIKey: GDIQXYMSGNXQFN-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.59
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine?

The IUPAC name of 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine (CID 170534021) is 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine.

What is the SMILES notation for 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine?

The canonical SMILES for 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine is C1CCC(C2CCCCC2C2C(N3C4CCCCC4C4CCCCC43)C(N3C4CCCCC4OC4CCCCC43)NC(N3C4CCCCC4OC4CCCCC43)C2N2C3CCCCC3C3CCCCC32)NC1.

What is the InChIKey of 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine?

The InChIKey is GDIQXYMSGNXQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H106N6O2/c1-2-26-46(41(21-1)47-27-19-20-40-65-47)60-61(67-48-28-7-3-22-42(48)43-23-4-8-29-49(43)67)63(69-52-32-11-15-36-56(52)71-57-37-16-12-33-53(57)69)66-64(70-54-34-13-17-38-58(54)72-59-39-18-14-35-55(59)70)62(60)68-50-30-9-5-24-44(50)45-25-6-10-31-51(45)68/h41-66H,1-40H2.

What are the key properties of 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine?

10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine has a molecular weight of 991.59 g/mol, XLogP of 12.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazin-10-yl)-3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-4-(2-piperidin-2-ylcyclohexyl)piperidin-2-yl]-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenoxazine is sourced from PubChem (CID 170534021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).