N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine

C136H85N13 — CID 159741562

About N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine

N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine (PubChem CID 159741562) has the molecular formula C136H85N13 and a molecular weight of 1901.27 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine
• PubChem CID: 159741562
• Molecular Formula: C136H85N13
• Molecular Weight: 1901.27 g/mol
• Exact Mass: 1899.71
• IUPAC Name: N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)n3c4ccccc4c4c6ccccc6n5c43)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2n2c4cc5cccnc5cc4c4c5cc6ncccc6cc5n3c42)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2n2c4cccnc4c4c5ncccc5n3c42)cc1
• InChI: InChI=1S/C48H29N5.C48H31N3.C40H25N5/c1-2-14-34(15-3-1)51(35-22-20-31(21-23-35)37-17-6-11-30-10-4-5-16-36(30)37)42-18-7-19-43-47(42)53-45-27-33-13-9-25-50-41(33)29-39(45)46-38-28-40-32(12-8-24-49-40)26-44(38)52(43)48(46)53;1-3-12-32(13-4-1)34-22-26-37(27-23-34)49(38-28-24-35(25-29-38)33-14-5-2-6-15-33)44-21-11-16-36-30-45-46(31-41(36)44)51-43-20-10-8-18-40(43)47-39-17-7-9-19-42(39)50(45)48(47)51;1-2-12-28(13-3-1)43(29-22-20-27(21-23-29)31-15-6-11-26-10-4-5-14-30(26)31)34-16-7-17-35-39(34)45-33-19-9-25-42-38(33)36-37-32(18-8-24-41-37)44(35)40(36)45/h1-29H;1-31H;1-25H
• InChIKey: NCNFYYKMEQLYFY-UHFFFAOYSA-N
• XLogP: 35.69
• TPSA: 87.74 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.27
LogP ≤ 5	35.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine?

The IUPAC name of N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine (CID 159741562) is N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine?

The canonical SMILES for N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)n3c4ccccc4c4c6ccccc6n5c43)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2n2c4cc5cccnc5cc4c4c5cc6ncccc6cc5n3c42)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2n2c4cccnc4c4c5ncccc5n3c42)cc1.

What is the InChIKey of N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine?

The InChIKey is NCNFYYKMEQLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5.C48H31N3.C40H25N5/c1-2-14-34(15-3-1)51(35-22-20-31(21-23-35)37-17-6-11-30-10-4-5-16-36(30)37)42-18-7-19-43-47(42)53-45-27-33-13-9-25-50-41(33)29-39(45)46-38-28-40-32(12-8-24-49-40)26-44(38)52(43)48(46)53;1-3-12-32(13-4-1)34-22-26-37(27-23-34)49(38-28-24-35(25-29-38)33-14-5-2-6-15-33)44-21-11-16-36-30-45-46(31-41(36)44)51-43-20-10-8-18-40(43)47-39-17-7-9-19-42(39)50(45)48(47)51;1-2-12-28(13-3-1)43(29-22-20-27(21-23-29)31-15-6-11-26-10-4-5-14-30(26)31)34-16-7-17-35-39(34)45-33-19-9-25-42-38(33)36-37-32(18-8-24-41-37)44(35)40(36)45/h1-29H;1-31H;1-25H.

What are the key properties of N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine?

N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine has a molecular weight of 1901.27 g/mol, XLogP of 35.69, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-phenylphenyl)-1,15-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,25.018,23]hexacosa-2,4,6,8(26),9,11,13,16(25),17,19,21,23-dodecaen-19-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-1,6,10,15-tetrazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,8(22),9(14),10,12,16(21),17,19-decaen-17-amine;N-(4-naphthalen-1-ylphenyl)-N-phenyl-5,12,19,26-tetrazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,13(18),14,16,20(29),21,23,25,27-tetradecaen-14-amine is sourced from PubChem (CID 159741562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).