5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine

C55H52F6N2O4 — CID 88588685

About 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine

5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine (PubChem CID 88588685) has the molecular formula C55H52F6N2O4 and a molecular weight of 919.02 g/mol. Its IUPAC name is 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine.

Molecular Properties

• Compound Name: 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine
• PubChem CID: 88588685
• Molecular Formula: C55H52F6N2O4
• Molecular Weight: 919.02 g/mol
• Exact Mass: 918.38
• IUPAC Name: 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine
• SMILES: COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(N(C(F)(F)F)C(F)(F)F)c(-c6ccc(N7CCOCC7)cc6)cc5c3O2)-c2ccccc2C42CC(C)(C)CC(C)(C)C2)cc1
• InChI: InChI=1S/C55H52F6N2O4/c1-50(2)31-51(3,4)33-52(32-50)45-10-8-7-9-40(45)47-43-30-46(63(54(56,57)58)55(59,60)61)42(34-11-17-37(18-12-34)62-25-27-66-28-26-62)29-44(43)49-41(48(47)52)23-24-53(67-49,35-13-19-38(64-5)20-14-35)36-15-21-39(65-6)22-16-36/h7-24,29-30H,25-28,31-33H2,1-6H3
• InChIKey: GRCCNKIGMYLMJT-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.02
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine?

The IUPAC name of 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine (CID 88588685) is 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine.

What is the SMILES notation for 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine?

The canonical SMILES for 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine is COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(N(C(F)(F)F)C(F)(F)F)c(-c6ccc(N7CCOCC7)cc6)cc5c3O2)-c2ccccc2C42CC(C)(C)CC(C)(C)C2)cc1.

What is the InChIKey of 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine?

The InChIKey is GRCCNKIGMYLMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52F6N2O4/c1-50(2)31-51(3,4)33-52(32-50)45-10-8-7-9-40(45)47-43-30-46(63(54(56,57)58)55(59,60)61)42(34-11-17-37(18-12-34)62-25-27-66-28-26-62)29-44(43)49-41(48(47)52)23-24-53(67-49,35-13-19-38(64-5)20-14-35)36-15-21-39(65-6)22-16-36/h7-24,29-30H,25-28,31-33H2,1-6H3.

What are the key properties of 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine?

5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine has a molecular weight of 919.02 g/mol, XLogP of 14.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-bis(4-methoxyphenyl)-1',1',5',5'-tetramethyl-10-(4-morpholin-4-ylphenyl)-N,N-bis(trifluoromethyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]-11-amine is sourced from PubChem (CID 88588685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).