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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile

C132H75N15 — CID 157229706

About 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile

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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile (PubChem CID 157229706) has the molecular formula C132H75N15 and a molecular weight of 1871.16 g/mol. Its IUPAC name is 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile
• PubChem CID: 157229706
• Molecular Formula: C132H75N15
• Molecular Weight: 1871.16 g/mol
• Exact Mass: 1869.63
• IUPAC Name: 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile
• SMILES: N#Cc1cccc(-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6n5-c5ccccc5)c4n(-c4ccccc4C#N)c23)c1.N#Cc1cccc(C#N)c1-n1c2c(ccc3c2c2ccccc2n3-c2ccccc2)c2ccc3c(c4ccccc4n3-c3ccccc3)c21.N#Cc1ccccc1-n1c2ccccc2c2c1ccc1c3ccc4c(c5c(C#N)cccc5n4-c4ccccc4)c3n(-c3ccccc3)c12
• InChI: InChI=1S/3C44H25N5/c45-26-28-12-11-13-29(27-46)42(28)49-43-32(22-24-38-40(43)34-18-7-9-20-36(34)47(38)30-14-3-1-4-15-30)33-23-25-39-41(44(33)49)35-19-8-10-21-37(35)48(39)31-16-5-2-6-17-31;45-26-28-12-7-9-19-35(28)49-36-20-10-8-18-34(36)41-38(49)24-22-32-33-23-25-39-42(44(33)48(43(32)41)31-16-5-2-6-17-31)40-29(27-46)13-11-21-37(40)47(39)30-14-3-1-4-15-30;45-26-28-11-10-15-31(25-28)48-38-20-9-6-17-35(38)42-40(48)24-22-33-32-21-23-39-41(43(32)49(44(33)42)36-18-7-4-12-29(36)27-46)34-16-5-8-19-37(34)47(39)30-13-2-1-3-14-30/h3*1-25H
• InChIKey: ATYNLPDNPFDJNW-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 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile?

The IUPAC name of 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile (CID 157229706) is 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile.

What is the SMILES notation for 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile?

The canonical SMILES for 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6n5-c5ccccc5)c4n(-c4ccccc4C#N)c23)c1.N#Cc1cccc(C#N)c1-n1c2c(ccc3c2c2ccccc2n3-c2ccccc2)c2ccc3c(c4ccccc4n3-c3ccccc3)c21.N#Cc1ccccc1-n1c2ccccc2c2c1ccc1c3ccc4c(c5c(C#N)cccc5n4-c4ccccc4)c3n(-c3ccccc3)c12.

What is the InChIKey of 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile?

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

What are the key properties of 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile?

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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile 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 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),7,9,11,17(25),18,20,22,26-dodecaene-11-carbonitrile;2-[6-(3-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-15-yl]benzonitrile;2-(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-dodecaen-15-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 157229706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).