5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile

C166H132N14 — CID 159297084

About 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile

5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile (PubChem CID 159297084) has the molecular formula C166H132N14 and a molecular weight of 2322.98 g/mol. Its IUPAC name is 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile.

Molecular Properties

• Compound Name: 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
• PubChem CID: 159297084
• Molecular Formula: C166H132N14
• Molecular Weight: 2322.98 g/mol
• Exact Mass: 2321.08
• IUPAC Name: 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
• SMILES: CC(C)(C)c1cc(-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6n5-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c(C#N)c5)c4n(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc(C(C)(C)C)c1.N#Cc1ccc(-n2c3c(ccc4c3c3ccccc3n4-c3ccccc3)c3ccc4c(c5ccc(C#N)cc5n4-c4ccccc4)c32)cc1.N#Cc1ccccc1-n1c2ccccc2c2c1ccc1c3ccc4c(c5ccccc5n4-c4ccccc4)c3n(-c3ccccc3)c12
• InChI: InChI=1S/C79H81N5.C44H25N5.C43H26N4/c1-74(2,3)48-27-32-66-61(44-48)62-45-49(75(4,5)6)28-33-67(62)84(66)63-34-29-54(37-47(63)46-80)81-64-25-21-19-23-59(64)70-68(81)35-30-57-58-31-36-69-71(73(58)83(72(57)70)56-42-52(78(13,14)15)39-53(43-56)79(16,17)18)60-24-20-22-26-65(60)82(69)55-40-50(76(7,8)9)38-51(41-55)77(10,11)12;45-26-28-15-18-32(19-16-28)49-43-33(21-23-38-41(43)35-13-7-8-14-37(35)47(38)30-9-3-1-4-10-30)34-22-24-39-42(44(34)49)36-20-17-29(27-46)25-40(36)48(39)31-11-5-2-6-12-31;44-27-28-13-7-10-20-35(28)47-37-22-12-9-19-34(37)41-39(47)26-24-32-31-23-25-38-40(42(31)46(43(32)41)30-16-5-2-6-17-30)33-18-8-11-21-36(33)45(38)29-14-3-1-4-15-29/h19-45H,1-18H3;1-25H;1-26H
• InChIKey: LAWBSWOGPLHSEF-UHFFFAOYSA-N
• XLogP: 43.30
• TPSA: 144.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.98
LogP ≤ 5	43.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?

The IUPAC name of 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile (CID 159297084) is 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile.

What is the SMILES notation for 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?

The canonical SMILES for 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile is CC(C)(C)c1cc(-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6n5-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c(C#N)c5)c4n(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc(C(C)(C)C)c1.N#Cc1ccc(-n2c3c(ccc4c3c3ccccc3n4-c3ccccc3)c3ccc4c(c5ccc(C#N)cc5n4-c4ccccc4)c32)cc1.N#Cc1ccccc1-n1c2ccccc2c2c1ccc1c3ccc4c(c5ccccc5n4-c4ccccc4)c3n(-c3ccccc3)c12.

What is the InChIKey of 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?

The InChIKey is LAWBSWOGPLHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H81N5.C44H25N5.C43H26N4/c1-74(2,3)48-27-32-66-61(44-48)62-45-49(75(4,5)6)28-33-67(62)84(66)63-34-29-54(37-47(63)46-80)81-64-25-21-19-23-59(64)70-68(81)35-30-57-58-31-36-69-71(73(58)83(72(57)70)56-42-52(78(13,14)15)39-53(43-56)79(16,17)18)60-24-20-22-26-65(60)82(69)55-40-50(76(7,8)9)38-51(41-55)77(10,11)12;45-26-28-15-18-32(19-16-28)49-43-33(21-23-38-41(43)35-13-7-8-14-37(35)47(38)30-9-3-1-4-10-30)34-22-24-39-42(44(34)49)36-20-17-29(27-46)25-40(36)48(39)31-11-5-2-6-12-31;44-27-28-13-7-10-20-35(28)47-37-22-12-9-19-34(37)41-39(47)26-24-32-31-23-25-38-40(42(31)46(43(32)41)30-16-5-2-6-17-30)33-18-8-11-21-36(33)45(38)29-14-3-1-4-15-29/h19-45H,1-18H3;1-25H;1-26H.

What are the key properties of 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile?

5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile has a molecular weight of 2322.98 g/mol, XLogP of 43.30, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[15,24-bis(3,5-ditert-butylphenyl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;15-(4-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-9-carbonitrile;2-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile is sourced from PubChem (CID 159297084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).