6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine

C200H157F2N9O2Si2 — CID 157112978

About 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine

6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (PubChem CID 157112978) has the molecular formula C200H157F2N9O2Si2 and a molecular weight of 2812.68 g/mol. Its IUPAC name is 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.

Molecular Properties

• Compound Name: 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
• PubChem CID: 157112978
• Molecular Formula: C200H157F2N9O2Si2
• Molecular Weight: 2812.68 g/mol
• Exact Mass: 2810.20
• IUPAC Name: 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccc(F)cc9)c9ccc(C(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccc(C(C)C)cc9)c9ccc([Si](C)(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c6cc(-c7ccccc7)cc7c8cc9ccc(N(c%10ccccc%10)c%10cccc%11c%10oc%10c(C)cccc%10%11)cc9cc8n(c5cc4c3)c67)cccc12
• InChI: InChI=1S/C70H45N3O2.C68H65N3Si2.C62H47F2N3/c1-42-16-12-24-54-56-26-14-28-62(69(56)74-67(42)54)71(50-20-8-4-9-21-50)52-32-30-45-36-58-60-38-49(44-18-6-3-7-19-44)39-61-59-37-46-31-33-53(35-48(46)41-65(59)73(66(60)61)64(58)40-47(45)34-52)72(51-22-10-5-11-23-51)63-29-15-27-57-55-25-13-17-43(2)68(55)75-70(57)63;1-44(2)46-16-22-54(23-17-46)69(56-28-32-60(33-29-56)72(5,6)7)58-26-20-49-38-62-64-40-53(48-14-12-11-13-15-48)41-65-63-39-50-21-27-59(37-52(50)43-67(63)71(68(64)65)66(62)42-51(49)36-58)70(55-24-18-47(19-25-55)45(3)4)57-30-34-61(35-31-57)73(8,9)10;1-38(2)40-10-20-50(21-11-40)65(52-26-16-48(63)17-27-52)54-24-14-43-32-56-58-34-47(42-8-6-5-7-9-42)35-59-57-33-44-15-25-55(31-46(44)37-61(57)67(62(58)59)60(56)36-45(43)30-54)66(53-28-18-49(64)19-29-53)51-22-12-41(13-23-51)39(3)4/h3-41H,1-2H3;11-45H,1-10H3;5-39H,1-4H3
• InChIKey: AHBHWYZPTKQCFQ-UHFFFAOYSA-N
• XLogP: 57.53
• TPSA: 58.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2812.68
LogP ≤ 5	57.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The IUPAC name of 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (CID 157112978) is 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.

What is the SMILES notation for 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The canonical SMILES for 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccc(F)cc9)c9ccc(C(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccc(C(C)C)cc9)c9ccc([Si](C)(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c6cc(-c7ccccc7)cc7c8cc9ccc(N(c%10ccccc%10)c%10cccc%11c%10oc%10c(C)cccc%10%11)cc9cc8n(c5cc4c3)c67)cccc12.

What is the InChIKey of 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The InChIKey is AHBHWYZPTKQCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N3O2.C68H65N3Si2.C62H47F2N3/c1-42-16-12-24-54-56-26-14-28-62(69(56)74-67(42)54)71(50-20-8-4-9-21-50)52-32-30-45-36-58-60-38-49(44-18-6-3-7-19-44)39-61-59-37-46-31-33-53(35-48(46)41-65(59)73(66(60)61)64(58)40-47(45)34-52)72(51-22-10-5-11-23-51)63-29-15-27-57-55-25-13-17-43(2)68(55)75-70(57)63;1-44(2)46-16-22-54(23-17-46)69(56-28-32-60(33-29-56)72(5,6)7)58-26-20-49-38-62-64-40-53(48-14-12-11-13-15-48)41-65-63-39-50-21-27-59(37-52(50)43-67(63)71(68(64)65)66(62)42-51(49)36-58)70(55-24-18-47(19-25-55)45(3)4)57-30-34-61(35-31-57)73(8,9)10;1-38(2)40-10-20-50(21-11-40)65(52-26-16-48(63)17-27-52)54-24-14-43-32-56-58-34-47(42-8-6-5-7-9-42)35-59-57-33-44-15-25-55(31-46(44)37-61(57)67(62(58)59)60(56)36-45(43)30-54)66(53-28-18-49(64)19-29-53)51-22-12-41(13-23-51)39(3)4/h3-41H,1-2H3;11-45H,1-10H3;5-39H,1-4H3.

What are the key properties of 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine has a molecular weight of 2812.68 g/mol, XLogP of 57.53, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is sourced from PubChem (CID 157112978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).