6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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

C168H105F6N9 — CID 158747641

About 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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

6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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 (PubChem CID 158747641) has the molecular formula C168H105F6N9 and a molecular weight of 2363.74 g/mol. Its IUPAC name is 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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.

Molecular Properties

• Compound Name: 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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
• PubChem CID: 158747641
• Molecular Formula: C168H105F6N9
• Molecular Weight: 2363.74 g/mol
• Exact Mass: 2361.84
• IUPAC Name: 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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
• SMILES: Fc1ccc(N(c2ccccc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccccc9)c9ccc(F)cc9)cc8cc7n(c4cc3c2)c56)cc1.Fc1cccc(N(c2ccccc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccccc9)c9cccc(F)c9)cc8cc7n(c4cc3c2)c56)c1.Fc1ccccc1N(c1ccccc1)c1ccc2cc3c4cc(-c5ccccc5)cc5c6cc7ccc(N(c8ccccc8)c8ccccc8F)cc7cc6n(c3cc2c1)c45
• InChI: InChI=1S/3C56H35F2N3/c57-50-20-10-12-22-52(50)59(42-16-6-2-7-17-42)44-26-24-37-30-46-48-32-41(36-14-4-1-5-15-36)33-49-47-31-38-25-27-45(60(43-18-8-3-9-19-43)53-23-13-11-21-51(53)58)29-40(38)35-55(47)61(56(48)49)54(46)34-39(37)28-44;57-42-14-10-20-46(34-42)59(44-16-6-2-7-17-44)48-24-22-37-28-50-52-30-41(36-12-4-1-5-13-36)31-53-51-29-38-23-25-49(60(45-18-8-3-9-19-45)47-21-11-15-43(58)35-47)27-40(38)33-55(51)61(56(52)53)54(50)32-39(37)26-48;57-42-18-24-46(25-19-42)59(44-12-6-2-7-13-44)48-22-16-37-30-50-52-32-41(36-10-4-1-5-11-36)33-53-51-31-38-17-23-49(60(45-14-8-3-9-15-45)47-26-20-43(58)21-27-47)29-40(38)35-55(51)61(56(52)53)54(50)34-39(37)28-48/h3*1-35H
• InChIKey: INBPGXUXNFQMIT-UHFFFAOYSA-N
• XLogP: 48.08
• TPSA: 32.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2363.74
LogP ≤ 5	48.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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?

The IUPAC name of 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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 (CID 158747641) is 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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.

What is the SMILES notation for 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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?

The canonical SMILES for 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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 is Fc1ccc(N(c2ccccc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccccc9)c9ccc(F)cc9)cc8cc7n(c4cc3c2)c56)cc1.Fc1cccc(N(c2ccccc2)c2ccc3cc4c5cc(-c6ccccc6)cc6c7cc8ccc(N(c9ccccc9)c9cccc(F)c9)cc8cc7n(c4cc3c2)c56)c1.Fc1ccccc1N(c1ccccc1)c1ccc2cc3c4cc(-c5ccccc5)cc5c6cc7ccc(N(c8ccccc8)c8ccccc8F)cc7cc6n(c3cc2c1)c45.

What is the InChIKey of 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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?

The InChIKey is INBPGXUXNFQMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H35F2N3/c57-50-20-10-12-22-52(50)59(42-16-6-2-7-17-42)44-26-24-37-30-46-48-32-41(36-14-4-1-5-15-36)33-49-47-31-38-25-27-45(60(43-18-8-3-9-19-43)53-23-13-11-21-51(53)58)29-40(38)35-55(47)61(56(48)49)54(46)34-39(37)28-44;57-42-14-10-20-46(34-42)59(44-16-6-2-7-17-44)48-24-22-37-28-50-52-30-41(36-12-4-1-5-13-36)31-53-51-29-38-23-25-49(60(45-18-8-3-9-19-45)47-21-11-15-43(58)35-47)27-40(38)33-55(51)61(56(52)53)54(50)32-39(37)26-48;57-42-18-24-46(25-19-42)59(44-12-6-2-7-13-44)48-22-16-37-30-50-52-32-41(36-10-4-1-5-11-36)33-53-51-31-38-17-23-49(60(45-14-8-3-9-15-45)47-26-20-43(58)21-27-47)29-40(38)35-55(51)61(56(52)53)54(50)34-39(37)28-48/h3*1-35H.

What are the key properties of 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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?

6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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 has a molecular weight of 2363.74 g/mol, XLogP of 48.08, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,22-N-bis(2-fluorophenyl)-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;6-N,22-N-bis(3-fluorophenyl)-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;6-N,22-N-bis(4-fluorophenyl)-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 is sourced from PubChem (CID 158747641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).