12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine

C164H113N9O2 — CID 161145375

About 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine

12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine (PubChem CID 161145375) has the molecular formula C164H113N9O2 and a molecular weight of 2241.77 g/mol. Its IUPAC name is 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine.

Molecular Properties

• Compound Name: 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine
• PubChem CID: 161145375
• Molecular Formula: C164H113N9O2
• Molecular Weight: 2241.77 g/mol
• Exact Mass: 2239.90
• IUPAC Name: 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3n3c5ccc(C6CCCCC6)cc5c5c6cc(C7CCCCC7)ccc6n4c53)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2n2c4cc5ccccc5cc4c4c5cc6ccccc6cc5n3c42)cc1.c1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4n4c6cc7oc8ccccc8c7cc6c6c7cc8c(cc7n5c64)oc4ccccc48)cc3)cccc2c1
• InChI: InChI=1S/C58H33N3O2.C56H49N3.C50H31N3/c1-3-16-38-34(12-1)14-9-20-39(38)36-26-28-37(29-27-36)59(47-21-10-15-35-13-2-4-17-40(35)47)48-22-11-23-49-57(48)61-51-33-55-44(42-19-6-8-25-53(42)63-55)31-46(51)56-45-30-43-41-18-5-7-24-52(41)62-54(43)32-50(45)60(49)58(56)61;1-5-14-38(15-6-1)42-24-30-46(31-25-42)57(47-32-26-43(27-33-47)39-16-7-2-8-17-39)52-22-13-23-53-55(52)59-51-35-29-45(41-20-11-4-12-21-41)37-49(51)54-48-36-44(40-18-9-3-10-19-40)28-34-50(48)58(53)56(54)59;1-2-18-38(19-3-1)51(39-26-24-33(25-27-39)41-21-10-17-32-12-8-9-20-40(32)41)44-22-11-23-45-49(44)53-47-31-37-16-7-5-14-35(37)29-43(47)48-42-28-34-13-4-6-15-36(34)30-46(42)52(45)50(48)53/h1-33H;1-2,5-8,13-17,22-37,40-41H,3-4,9-12,18-21H2;1-31H
• InChIKey: UNZCPKGCODQDGY-UHFFFAOYSA-N
• XLogP: 46.01
• TPSA: 62.46 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.77
LogP ≤ 5	46.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine?

The IUPAC name of 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine (CID 161145375) is 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine.

What is the SMILES notation for 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine?

The canonical SMILES for 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3n3c5ccc(C6CCCCC6)cc5c5c6cc(C7CCCCC7)ccc6n4c53)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2n2c4cc5ccccc5cc4c4c5cc6ccccc6cc5n3c42)cc1.c1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4n4c6cc7oc8ccccc8c7cc6c6c7cc8c(cc7n5c64)oc4ccccc48)cc3)cccc2c1.

What is the InChIKey of 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine?

The InChIKey is UNZCPKGCODQDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N3O2.C56H49N3.C50H31N3/c1-3-16-38-34(12-1)14-9-20-39(38)36-26-28-37(29-27-36)59(47-21-10-15-35-13-2-4-17-40(35)47)48-22-11-23-49-57(48)61-51-33-55-44(42-19-6-8-25-53(42)63-55)31-46(51)56-45-30-43-41-18-5-7-24-52(41)62-54(43)32-50(45)60(49)58(56)61;1-5-14-38(15-6-1)42-24-30-46(31-25-42)57(47-32-26-43(27-33-47)39-16-7-2-8-17-39)52-22-13-23-53-55(52)59-51-35-29-45(41-20-11-4-12-21-41)37-49(51)54-48-36-44(40-18-9-3-10-19-40)28-34-50(48)58(53)56(54)59;1-2-18-38(19-3-1)51(39-26-24-33(25-27-39)41-21-10-17-32-12-8-9-20-40(32)41)44-22-11-23-45-49(44)53-47-31-37-16-7-5-14-35(37)29-43(47)48-42-28-34-13-4-6-15-36(34)30-46(42)52(45)50(48)53/h1-33H;1-2,5-8,13-17,22-37,40-41H,3-4,9-12,18-21H2;1-31H.

What are the key properties of 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine?

12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine has a molecular weight of 2241.77 g/mol, XLogP of 46.01, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 12,18-dicyclohexyl-N,N-bis(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,15(22),16(21),17,19-decaen-3-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-11,26-dioxa-15,22-diazadecacyclo[20.13.1.02,14.04,12.05,10.015,36.016,21.023,35.025,33.027,32]hexatriaconta-1(36),2(14),3,5,7,9,12,16(21),17,19,23(35),24,27,29,31,33-hexadecaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-12,19-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,20,22,24,26,28-tetradecaen-14-amine is sourced from PubChem (CID 161145375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).