11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane

C90H72F7N15 — CID 158711058

About 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane

11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane (PubChem CID 158711058) has the molecular formula C90H72F7N15 and a molecular weight of 1496.66 g/mol. Its IUPAC name is 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane.

Molecular Properties

• Compound Name: 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane
• PubChem CID: 158711058
• Molecular Formula: C90H72F7N15
• Molecular Weight: 1496.66 g/mol
• Exact Mass: 1495.60
• IUPAC Name: 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane
• SMILES: C.FCCNc1cc(-c2ccc3c(n2)[nH]c2ccncc23)cc(F)n1.FCCNc1cc(-c2ccc3c4cnccc4n(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3n2)cc(F)n1.Fc1cc(-c2ccc3c4cnccc4n(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3n2)cc(F)n1.NCCF
• InChI: InChI=1S/C36H27F2N5.C34H22F2N4.C17H13F2N5.C2H6FN.CH4/c37-19-21-40-34-23-25(22-33(38)42-34)31-17-16-29-30-24-39-20-18-32(30)43(35(29)41-31)36(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;35-31-20-23(21-32(36)39-31)29-17-16-27-28-22-37-19-18-30(28)40(33(27)38-29)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;18-4-6-21-16-8-10(7-15(19)24-16)13-2-1-11-12-9-20-5-3-14(12)23-17(11)22-13;3-1-2-4;/h1-18,20,22-24H,19,21H2,(H,40,42);1-22H;1-3,5,7-9H,4,6H2,(H,21,24)(H,22,23);1-2,4H2;1H4
• InChIKey: IISJZSOTKILBEL-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 191.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1496.66
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane?

The IUPAC name of 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane (CID 158711058) is 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane.

What is the SMILES notation for 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane?

The canonical SMILES for 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane is C.FCCNc1cc(-c2ccc3c(n2)[nH]c2ccncc23)cc(F)n1.FCCNc1cc(-c2ccc3c4cnccc4n(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3n2)cc(F)n1.Fc1cc(-c2ccc3c4cnccc4n(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3n2)cc(F)n1.NCCF.

What is the InChIKey of 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane?

The InChIKey is IISJZSOTKILBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27F2N5.C34H22F2N4.C17H13F2N5.C2H6FN.CH4/c37-19-21-40-34-23-25(22-33(38)42-34)31-17-16-29-30-24-39-20-18-32(30)43(35(29)41-31)36(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;35-31-20-23(21-32(36)39-31)29-17-16-27-28-22-37-19-18-30(28)40(33(27)38-29)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;18-4-6-21-16-8-10(7-15(19)24-16)13-2-1-11-12-9-20-5-3-14(12)23-17(11)22-13;3-1-2-4;/h1-18,20,22-24H,19,21H2,(H,40,42);1-22H;1-3,5,7-9H,4,6H2,(H,21,24)(H,22,23);1-2,4H2;1H4.

What are the key properties of 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane?

11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane has a molecular weight of 1496.66 g/mol, XLogP of 20.02, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2,6-difluoro-4-pyridinyl)-8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoroethanamine;6-fluoro-N-(2-fluoroethyl)-4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;6-fluoro-N-(2-fluoroethyl)-4-(8-trityl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-2-amine;methane is sourced from PubChem (CID 158711058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).