15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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

C132H75N15 — CID 158192028

About 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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

15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 158192028) has the molecular formula C132H75N15 and a molecular weight of 1871.16 g/mol. Its IUPAC name is 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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: 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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: 158192028
• Molecular Formula: C132H75N15
• Molecular Weight: 1871.16 g/mol
• Exact Mass: 1869.63
• IUPAC Name: 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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: N#Cc1ccc(-n2c3c(ccc4c3c3ccccc3n4-c3ccccc3)c3ccc4c(c5ccccc5n4-c4ccccc4C#N)c32)cc1.N#Cc1ccc2c3c(ccc4c5ccc6c(c7ccccc7n6-c6ccccc6C#N)c5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.N#Cc1cccc(-n2c3c(ccc4c3c3ccccc3n4-c3ccccc3)c3c(C#N)cc4c(c5ccccc5n4-c4ccccc4)c32)c1
• InChI: InChI=1S/3C44H25N5/c45-26-28-12-11-17-32(24-28)49-43-35(22-23-38-41(43)33-18-7-9-20-36(33)47(38)30-13-3-1-4-14-30)40-29(27-46)25-39-42(44(40)49)34-19-8-10-21-37(34)48(39)31-15-5-2-6-16-31;45-26-28-19-20-35-40(25-28)47(30-12-3-1-4-13-30)38-23-21-32-33-22-24-39-41(43(33)48(44(32)42(35)38)31-14-5-2-6-15-31)34-16-8-10-18-37(34)49(39)36-17-9-7-11-29(36)27-46;45-26-28-18-20-31(21-19-28)48-43-32(22-24-39-41(43)34-13-5-8-16-37(34)47(39)30-11-2-1-3-12-30)33-23-25-40-42(44(33)48)35-14-6-9-17-38(35)49(40)36-15-7-4-10-29(36)27-46/h3*1-25H
• InChIKey: FZWLMCVWIGIVQS-UHFFFAOYSA-N
• XLogP: 32.16
• TPSA: 187.11 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.16
LogP ≤ 5	32.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 158192028) is 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 N#Cc1ccc(-n2c3c(ccc4c3c3ccccc3n4-c3ccccc3)c3ccc4c(c5ccccc5n4-c4ccccc4C#N)c32)cc1.N#Cc1ccc2c3c(ccc4c5ccc6c(c7ccccc7n6-c6ccccc6C#N)c5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.N#Cc1cccc(-n2c3c(ccc4c3c3ccccc3n4-c3ccccc3)c3c(C#N)cc4c(c5ccccc5n4-c4ccccc4)c32)c1.

What is the InChIKey of 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 FZWLMCVWIGIVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H25N5/c45-26-28-12-11-17-32(24-28)49-43-35(22-23-38-41(43)33-18-7-9-20-36(33)47(38)30-13-3-1-4-14-30)40-29(27-46)25-39-42(44(40)49)34-19-8-10-21-37(34)48(39)31-15-5-2-6-16-31;45-26-28-19-20-35-40(25-28)47(30-12-3-1-4-13-30)38-23-21-32-33-22-24-39-41(43(33)48(44(32)42(35)38)31-14-5-2-6-15-31)34-16-8-10-18-37(34)49(39)36-17-9-7-11-29(36)27-46;45-26-28-18-20-31(21-19-28)48-43-32(22-24-39-41(43)34-13-5-8-16-37(34)47(39)30-11-2-1-3-12-30)33-23-25-40-42(44(33)48)35-14-6-9-17-38(35)49(40)36-15-7-4-10-29(36)27-46/h3*1-25H.

What are the key properties of 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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?

15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 1871.16 g/mol, XLogP of 32.16, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(3-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),7,9,11,17(25),18,20,22,26-dodecaene-3-carbonitrile;24-(2-cyanophenyl)-6,15-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-(4-cyanophenyl)-24-phenyl-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 158192028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).