4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

C144H90N12 — CID 159042820

About 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (PubChem CID 159042820) has the molecular formula C144H90N12 and a molecular weight of 1988.39 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.

Molecular Properties

• Compound Name: 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
• PubChem CID: 159042820
• Molecular Formula: C144H90N12
• Molecular Weight: 1988.39 g/mol
• Exact Mass: 1986.74
• IUPAC Name: 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
• SMILES: c1ccc(N2c3ccccc3-n3c4c2cccc4c2ccc4c(c5ccccc5n4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c23)cc1.c1ccc(N2c3ccccc3-n3c4c2cccc4c2ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4c23)cc1.c1ccc(N2c3ccccc3-n3c4cc5c(cc4c4cccc2c43)c2ccccc2n5-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/3C48H30N4/c1-2-13-31(14-3-1)51-43-22-10-11-23-44(43)52-47-30-46-38(29-39(47)37-18-12-24-45(51)48(37)52)36-17-6-9-21-42(36)50(46)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49;1-2-13-31(14-3-1)51-42-22-10-11-23-43(42)52-47-36(18-12-24-45(47)51)37-29-30-44-46(48(37)52)38-17-6-9-21-41(38)50(44)33-27-25-32(26-28-33)49-39-19-7-4-15-34(39)35-16-5-8-20-40(35)49;1-2-13-31(14-3-1)50-43-22-10-11-23-44(43)52-46-37(18-12-24-45(46)50)39-30-29-38-36-17-6-9-21-42(36)51(47(38)48(39)52)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h3*1-30H
• InChIKey: JWGYJTHFUUJOJT-UHFFFAOYSA-N
• XLogP: 38.28
• TPSA: 54.09 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.39
LogP ≤ 5	38.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?

The IUPAC name of 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (CID 159042820) is 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.

What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?

The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is c1ccc(N2c3ccccc3-n3c4c2cccc4c2ccc4c(c5ccccc5n4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c23)cc1.c1ccc(N2c3ccccc3-n3c4c2cccc4c2ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4c23)cc1.c1ccc(N2c3ccccc3-n3c4cc5c(cc4c4cccc2c43)c2ccccc2n5-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?

The InChIKey is JWGYJTHFUUJOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H30N4/c1-2-13-31(14-3-1)51-43-22-10-11-23-44(43)52-47-30-46-38(29-39(47)37-18-12-24-45(51)48(37)52)36-17-6-9-21-42(36)50(46)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49;1-2-13-31(14-3-1)51-42-22-10-11-23-43(42)52-47-36(18-12-24-45(47)51)37-29-30-44-46(48(37)52)38-17-6-9-21-41(38)50(44)33-27-25-32(26-28-33)49-39-19-7-4-15-34(39)35-16-5-8-20-40(35)49;1-2-13-31(14-3-1)50-43-22-10-11-23-44(43)52-46-37(18-12-24-45(46)50)39-30-29-38-36-17-6-9-21-42(36)51(47(38)48(39)52)33-27-25-32(26-28-33)49-40-19-7-4-15-34(40)35-16-5-8-20-41(35)49/h3*1-30H.

What are the key properties of 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?

4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene has a molecular weight of 1988.39 g/mol, XLogP of 38.28, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is sourced from PubChem (CID 159042820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).