4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile

C178H103N13O3 — CID 160597668

About 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile

4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile (PubChem CID 160597668) has the molecular formula C178H103N13O3 and a molecular weight of 2471.87 g/mol. Its IUPAC name is 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile
• PubChem CID: 160597668
• Molecular Formula: C178H103N13O3
• Molecular Weight: 2471.87 g/mol
• Exact Mass: 2469.83
• IUPAC Name: 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)c5ccc43)cc2)cc1.N#Cc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)c5ccc43)cc2)cc1C#N.N#Cc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6cc(-n8c9ccccc9c9ccccc98)ccc6n7-c6ccccc6)c5ccc43)cc2)cc1
• InChI: InChI=1S/C62H35N5O.C61H36N4O.C55H32N4O/c63-36-42-20-19-39(33-43(42)37-64)38-21-25-46(26-22-38)67-54-18-10-8-16-50(54)59-57(67)31-27-48-49-28-32-58-60(62(49)68-61(48)59)52-35-41(24-30-56(52)66(58)45-13-5-2-6-14-45)40-23-29-55-51(34-40)47-15-7-9-17-53(47)65(55)44-11-3-1-4-12-44;62-37-38-19-21-39(22-20-38)40-23-27-45(28-24-40)65-53-18-10-8-16-49(53)58-56(65)33-29-47-48-30-34-57-59(61(48)66-60(47)58)51-36-42(26-32-55(51)64(57)44-13-5-2-6-14-44)41-25-31-54-50(35-41)46-15-7-9-17-52(46)63(54)43-11-3-1-4-12-43;56-33-34-18-20-35(21-19-34)36-22-24-38(25-23-36)58-48-17-9-6-14-44(48)52-50(58)30-27-42-43-28-31-51-53(55(43)60-54(42)52)45-32-39(26-29-49(45)57(51)37-10-2-1-3-11-37)59-46-15-7-4-12-40(46)41-13-5-8-16-47(41)59/h1-35H;1-36H;1-32H
• InChIKey: RDVUJQSCMBATER-UHFFFAOYSA-N
• XLogP: 46.45
• TPSA: 178.95 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.87
LogP ≤ 5	46.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile?

The IUPAC name of 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile (CID 160597668) is 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile.

What is the SMILES notation for 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile?

The canonical SMILES for 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)c5ccc43)cc2)cc1.N#Cc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)c5ccc43)cc2)cc1C#N.N#Cc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6cc(-n8c9ccccc9c9ccccc98)ccc6n7-c6ccccc6)c5ccc43)cc2)cc1.

What is the InChIKey of 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile?

The InChIKey is RDVUJQSCMBATER-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H35N5O.C61H36N4O.C55H32N4O/c63-36-42-20-19-39(33-43(42)37-64)38-21-25-46(26-22-38)67-54-18-10-8-16-50(54)59-57(67)31-27-48-49-28-32-58-60(62(49)68-61(48)59)52-35-41(24-30-56(52)66(58)45-13-5-2-6-14-45)40-23-29-55-51(34-40)47-15-7-9-17-53(47)65(55)44-11-3-1-4-12-44;62-37-38-19-21-39(22-20-38)40-23-27-45(28-24-40)65-53-18-10-8-16-49(53)58-56(65)33-29-47-48-30-34-57-59(61(48)66-60(47)58)51-36-42(26-32-55(51)64(57)44-13-5-2-6-14-44)41-25-31-54-50(35-41)46-15-7-9-17-52(46)63(54)43-11-3-1-4-12-43;56-33-34-18-20-35(21-19-34)36-22-24-38(25-23-36)58-48-17-9-6-14-44(48)52-50(58)30-27-42-43-28-31-51-53(55(43)60-54(42)52)45-32-39(26-29-49(45)57(51)37-10-2-1-3-11-37)59-46-15-7-4-12-40(46)41-13-5-8-16-47(41)59/h1-35H;1-36H;1-32H.

What are the key properties of 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile?

4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile has a molecular weight of 2471.87 g/mol, XLogP of 46.45, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzene-1,2-dicarbonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[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(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile is sourced from PubChem (CID 160597668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).