14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine

C186H147B3F3N3O4 — CID 162181814

About 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine

14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine (PubChem CID 162181814) has the molecular formula C186H147B3F3N3O4 and a molecular weight of 2577.67 g/mol. Its IUPAC name is 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine.

Molecular Properties

• Compound Name: 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
• PubChem CID: 162181814
• Molecular Formula: C186H147B3F3N3O4
• Molecular Weight: 2577.67 g/mol
• Exact Mass: 2576.16
• IUPAC Name: 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
• SMILES: Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)Oc2cc(N(c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc2-3)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc2-3)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4-c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc2-3)c(C)c1
• InChI: InChI=1S/C64H49BFNO2.C64H51BFNO.C58H47BFNO/c1-38-31-40(3)61(41(4)32-38)65(62-42(5)33-39(2)34-43(62)6)54-30-29-50-49-28-27-47(37-59(49)68-58-26-16-23-52(54)60(50)58)67(56-24-15-22-51-48-21-13-14-25-57(48)69-64(51)56)63-53(45-19-11-8-12-20-45)35-46(36-55(63)66)44-17-9-7-10-18-44;1-40-33-42(3)62(43(4)34-40)65(63-44(5)35-41(2)36-45(63)6)56-32-31-53-52-30-29-50(39-60(52)68-59-28-18-26-54(56)61(53)59)67(58-27-17-16-25-51(58)47-21-12-8-13-22-47)64-55(48-23-14-9-15-24-48)37-49(38-57(64)66)46-19-10-7-11-20-46;1-36-29-38(3)56(39(4)30-36)59(57-40(5)31-37(2)32-41(57)6)51-28-27-48-47-26-25-46(35-54(47)62-53-24-16-23-49(51)55(48)53)61(45-21-14-9-15-22-45)58-50(43-19-12-8-13-20-43)33-44(34-52(58)60)42-17-10-7-11-18-42/h7-37H,1-6H3;7-39H,1-6H3;7-35H,1-6H3
• InChIKey: ZPCYAQRNWXVNFV-UHFFFAOYSA-N
• XLogP: 45.33
• TPSA: 50.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 25
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2577.67
LogP ≤ 5	45.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

The IUPAC name of 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine (CID 162181814) is 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine.

What is the SMILES notation for 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

The canonical SMILES for 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine is Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)Oc2cc(N(c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc2-3)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc2-3)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4-c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc2-3)c(C)c1.

What is the InChIKey of 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

The InChIKey is ZPCYAQRNWXVNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49BFNO2.C64H51BFNO.C58H47BFNO/c1-38-31-40(3)61(41(4)32-38)65(62-42(5)33-39(2)34-43(62)6)54-30-29-50-49-28-27-47(37-59(49)68-58-26-16-23-52(54)60(50)58)67(56-24-15-22-51-48-21-13-14-25-57(48)69-64(51)56)63-53(45-19-11-8-12-20-45)35-46(36-55(63)66)44-17-9-7-10-18-44;1-40-33-42(3)62(43(4)34-40)65(63-44(5)35-41(2)36-45(63)6)56-32-31-53-52-30-29-50(39-60(52)68-59-28-18-26-54(56)61(53)59)67(58-27-17-16-25-51(58)47-21-12-8-13-22-47)64-55(48-23-14-9-15-24-48)37-49(38-57(64)66)46-19-10-7-11-20-46;1-36-29-38(3)56(39(4)30-36)59(57-40(5)31-37(2)32-41(57)6)51-28-27-48-47-26-25-46(35-54(47)62-53-24-16-23-49(51)55(48)53)61(45-21-14-9-15-22-45)58-50(43-19-12-8-13-20-43)33-44(34-52(58)60)42-17-10-7-11-18-42/h7-37H,1-6H3;7-39H,1-6H3;7-35H,1-6H3.

What are the key properties of 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine has a molecular weight of 2577.67 g/mol, XLogP of 45.33, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 14-bis(2,4,6-trimethylphenyl)boranyl-N-dibenzofuran-4-yl-N-(2-fluoro-4,6-diphenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine;14-bis(2,4,6-trimethylphenyl)boranyl-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine is sourced from PubChem (CID 162181814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).