14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C35H26F3NO — CID 118920543

About 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 118920543) has the molecular formula C35H26F3NO and a molecular weight of 533.59 g/mol. Its IUPAC name is 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 118920543
• Molecular Formula: C35H26F3NO
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.20
• IUPAC Name: 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: Cc1cc(-c2ccccc2)cc(C(F)(F)F)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1O3
• InChI: InChI=1S/C35H26F3NO/c1-21-17-23(22-11-5-4-6-12-22)18-28(35(36,37)38)33(21)39-29-15-9-7-13-24(29)25-19-32-27(20-30(25)39)34(2,3)26-14-8-10-16-31(26)40-32/h4-20H,1-3H3
• InChIKey: RQNPPZIINIRLDC-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 118920543) is 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1cc(-c2ccccc2)cc(C(F)(F)F)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1O3.

What is the InChIKey of 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is RQNPPZIINIRLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26F3NO/c1-21-17-23(22-11-5-4-6-12-22)18-28(35(36,37)38)33(21)39-29-15-9-7-13-24(29)25-19-32-27(20-30(25)39)34(2,3)26-14-8-10-16-31(26)40-32/h4-20H,1-3H3.

What are the key properties of 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 533.59 g/mol, XLogP of 10.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-10-[2-methyl-4-phenyl-6-(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 118920543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).