8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile

C163H100N16 — CID 163809944

About 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile

8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile (PubChem CID 163809944) has the molecular formula C163H100N16 and a molecular weight of 2282.70 g/mol. Its IUPAC name is 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile.

Molecular Properties

• Compound Name: 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile
• PubChem CID: 163809944
• Molecular Formula: C163H100N16
• Molecular Weight: 2282.70 g/mol
• Exact Mass: 2280.83
• IUPAC Name: 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile
• SMILES: C#Cc1ccc2c(c1)c1ccc3c4cc(C#N)ccc4n4c5ccccc5n(-c5ccc(C#N)cc5)c5ccccc5n2c1c34.C#Cc1ccc2c(c1)c1ccc3c4cc(C#N)ccc4n4c5ccccc5n(-c5ccccc5)c5ccccc5n2c1c34.c1ccc(N2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(N2c3ccccc3N(c3ccccc3)c3cccc4c5ccccc5n(c34)-c3ccccc32)cc1
• InChI: InChI=1S/C48H32N4.C40H21N5.C39H22N4.C36H25N3/c1-2-15-33(16-3-1)51-44-25-11-10-24-43(44)50(35-31-29-34(30-32-35)49-40-21-7-4-17-36(40)37-18-5-8-22-41(37)49)45-26-12-13-27-46(45)52-42-23-9-6-19-38(42)39-20-14-28-47(51)48(39)52;1-2-25-13-19-33-31(21-25)29-17-18-30-32-22-27(24-42)14-20-34(32)45-38-10-6-4-8-36(38)43(28-15-11-26(23-41)12-16-28)35-7-3-5-9-37(35)44(33)39(29)40(30)45;1-2-25-16-20-32-30(22-25)28-18-19-29-31-23-26(24-40)17-21-33(31)43-37-15-9-7-13-35(37)41(27-10-4-3-5-11-27)34-12-6-8-14-36(34)42(32)38(28)39(29)43;1-3-14-26(15-4-1)37-31-21-9-10-22-32(31)38(27-16-5-2-6-17-27)35-25-13-19-29-28-18-7-8-20-30(28)39(36(29)35)34-24-12-11-23-33(34)37/h1-32H;1,3-22H;1,3-23H;1-25H
• InChIKey: NMIWLMZSJVBTBH-UHFFFAOYSA-N
• XLogP: 41.37
• TPSA: 126.62 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2282.70
LogP ≤ 5	41.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile?

The IUPAC name of 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile (CID 163809944) is 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile.

What is the SMILES notation for 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile?

The canonical SMILES for 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile is C#Cc1ccc2c(c1)c1ccc3c4cc(C#N)ccc4n4c5ccccc5n(-c5ccc(C#N)cc5)c5ccccc5n2c1c34.C#Cc1ccc2c(c1)c1ccc3c4cc(C#N)ccc4n4c5ccccc5n(-c5ccccc5)c5ccccc5n2c1c34.c1ccc(N2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(N2c3ccccc3N(c3ccccc3)c3cccc4c5ccccc5n(c34)-c3ccccc32)cc1.

What is the InChIKey of 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile?

The InChIKey is NMIWLMZSJVBTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4.C40H21N5.C39H22N4.C36H25N3/c1-2-15-33(16-3-1)51-44-25-11-10-24-43(44)50(35-31-29-34(30-32-35)49-40-21-7-4-17-36(40)37-18-5-8-22-41(37)49)45-26-12-13-27-46(45)52-42-23-9-6-19-38(42)39-20-14-28-47(51)48(39)52;1-2-25-13-19-33-31(21-25)29-17-18-30-32-22-27(24-42)14-20-34(32)45-38-10-6-4-8-36(38)43(28-15-11-26(23-41)12-16-28)35-7-3-5-9-37(35)44(33)39(29)40(30)45;1-2-25-16-20-32-30(22-25)28-18-19-29-31-23-26(24-40)17-21-33(31)43-37-15-9-7-13-35(37)41(27-10-4-3-5-11-27)34-12-6-8-14-36(34)42(32)38(28)39(29)43;1-3-14-26(15-4-1)37-31-21-9-10-22-32(31)38(27-16-5-2-6-17-27)35-25-13-19-29-28-18-7-8-20-30(28)39(36(29)35)34-24-12-11-23-33(34)37/h1-32H;1,3-22H;1,3-23H;1-25H.

What are the key properties of 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile?

8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile has a molecular weight of 2282.70 g/mol, XLogP of 41.37, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-carbazol-9-ylphenyl)-15-phenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;25-(4-cyanophenyl)-14-ethynyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile;8,15-diphenyl-1,8,15-triazahexacyclo[14.10.1.02,7.09,14.020,27.021,26]heptacosa-2,4,6,9,11,13,16,18,20(27),21,23,25-dodecaene;14-ethynyl-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene-5-carbonitrile is sourced from PubChem (CID 163809944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).