2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C174H112N8 — CID 163543270

About 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 163543270) has the molecular formula C174H112N8 and a molecular weight of 2314.87 g/mol. Its IUPAC name is 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

• Compound Name: 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• PubChem CID: 163543270
• Molecular Formula: C174H112N8
• Molecular Weight: 2314.87 g/mol
• Exact Mass: 2312.90
• IUPAC Name: 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• SMILES: c1ccc(-c2cc(-n3c4ccc5ccccc5c4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5c5ccccc5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)cc2)cc1.c1ccc(-c2ccccc2-n2c3cc4ccccc4cc3c3c(-c4ccccc4)c4c5c6ccccc6ccc5n(-c5ccccc5)c4cc32)cc1
• InChI: InChI=1S/C50H32N2.C44H28N2.2C40H26N2/c1-4-16-33(17-5-1)39-25-14-15-27-42(39)52-44-31-37-22-11-10-21-36(37)30-41(44)49-45(52)32-46-50(47(49)35-19-6-2-7-20-35)48-40-26-13-12-18-34(40)28-29-43(48)51(46)38-23-8-3-9-24-38;1-3-13-29(14-4-1)38-28-33(27-31-16-8-9-19-34(31)38)45-40-25-23-30-15-7-10-20-35(30)42(40)43-41(45)26-24-37-36-21-11-12-22-39(36)46(44(37)43)32-17-5-2-6-18-32;1-3-13-27(14-4-1)28-23-25-30(26-24-28)42-36-22-12-10-20-34(36)38-37-33-19-9-11-21-35(33)41(29-15-5-2-6-16-29)39(37)31-17-7-8-18-32(31)40(38)42;1-3-13-27(14-4-1)28-23-25-30(26-24-28)42-36-22-12-10-20-34(36)38-32-18-8-7-17-31(32)37-33-19-9-11-21-35(33)41(39(37)40(38)42)29-15-5-2-6-16-29/h1-32H;1-28H;2*1-26H
• InChIKey: FCXGDHHMQOMLPM-UHFFFAOYSA-N
• XLogP: 46.78
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2314.87
LogP ≤ 5	46.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The IUPAC name of 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 163543270) is 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

What is the SMILES notation for 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The canonical SMILES for 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is c1ccc(-c2cc(-n3c4ccc5ccccc5c4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5c5ccccc5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)cc2)cc1.c1ccc(-c2ccccc2-n2c3cc4ccccc4cc3c3c(-c4ccccc4)c4c5c6ccccc6ccc5n(-c5ccccc5)c4cc32)cc1.

What is the InChIKey of 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The InChIKey is FCXGDHHMQOMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2.C44H28N2.2C40H26N2/c1-4-16-33(17-5-1)39-25-14-15-27-42(39)52-44-31-37-22-11-10-21-36(37)30-41(44)49-45(52)32-46-50(47(49)35-19-6-2-7-20-35)48-40-26-13-12-18-34(40)28-29-43(48)51(46)38-23-8-3-9-24-38;1-3-13-29(14-4-1)38-28-33(27-31-16-8-9-19-34(31)38)45-40-25-23-30-15-7-10-20-35(30)42(40)43-41(45)26-24-37-36-21-11-12-22-39(36)46(44(37)43)32-17-5-2-6-18-32;1-3-13-27(14-4-1)28-23-25-30(26-24-28)42-36-22-12-10-20-34(36)38-37-33-19-9-11-21-35(33)41(29-15-5-2-6-16-29)39(37)31-17-7-8-18-32(31)40(38)42;1-3-13-27(14-4-1)28-23-25-30(26-24-28)42-36-22-12-10-20-34(36)38-32-18-8-7-17-31(32)37-33-19-9-11-21-35(33)41(39(37)40(38)42)29-15-5-2-6-16-29/h1-32H;1-28H;2*1-26H.

What are the key properties of 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 2314.87 g/mol, XLogP of 46.78, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,14-diphenyl-18-(2-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27-tridecaene;23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;3-phenyl-24-(4-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-18-(4-phenylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 163543270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).