20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene

C144H84N12 — CID 159486049

About 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene

20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene (PubChem CID 159486049) has the molecular formula C144H84N12 and a molecular weight of 1982.34 g/mol. Its IUPAC name is 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
• PubChem CID: 159486049
• Molecular Formula: C144H84N12
• Molecular Weight: 1982.34 g/mol
• Exact Mass: 1980.69
• IUPAC Name: 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
• SMILES: c1ccc(-n2c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4nc6ccccc6nc4-c4ccccc4-5)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4nc6ccccc6nc4-c4ccccc4-5)ccc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4nc6ccccc6nc4-c4ccccc4-5)ccc3c3ccc4ccccc4c32)cc1
• InChI: InChI=1S/3C48H28N4/c1-2-14-33(15-3-1)51-44-28-31(22-23-36(44)38-24-29-12-4-5-13-30(29)27-45(38)51)32-25-39-34-16-6-7-18-37(34)46-48(50-42-20-10-9-19-41(42)49-46)52-43-21-11-8-17-35(43)40(26-32)47(39)52;1-2-13-32(14-3-1)51-44-28-30(23-24-36(44)38-25-22-29-12-4-5-15-33(29)46(38)51)31-26-39-34-16-6-7-18-37(34)45-48(50-42-20-10-9-19-41(42)49-45)52-43-21-11-8-17-35(43)40(27-31)47(39)52;1-2-13-32(14-3-1)51-43-25-23-29-12-4-5-15-33(29)45(43)37-24-22-30(28-44(37)51)31-26-38-34-16-6-7-18-36(34)46-48(50-41-20-10-9-19-40(41)49-46)52-42-21-11-8-17-35(42)39(27-31)47(38)52/h3*1-28H
• InChIKey: LXPCQQPHHYECDK-UHFFFAOYSA-N
• XLogP: 36.87
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1982.34
LogP ≤ 5	36.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?

The IUPAC name of 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene (CID 159486049) is 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene.

What is the SMILES notation for 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?

The canonical SMILES for 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene is c1ccc(-n2c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4nc6ccccc6nc4-c4ccccc4-5)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4nc6ccccc6nc4-c4ccccc4-5)ccc3c3cc4ccccc4cc32)cc1.c1ccc(-n2c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4nc6ccccc6nc4-c4ccccc4-5)ccc3c3ccc4ccccc4c32)cc1.

What is the InChIKey of 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?

The InChIKey is LXPCQQPHHYECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H28N4/c1-2-14-33(15-3-1)51-44-28-31(22-23-36(44)38-24-29-12-4-5-13-30(29)27-45(38)51)32-25-39-34-16-6-7-18-37(34)46-48(50-42-20-10-9-19-41(42)49-46)52-43-21-11-8-17-35(43)40(26-32)47(39)52;1-2-13-32(14-3-1)51-44-28-30(23-24-36(44)38-25-22-29-12-4-5-15-33(29)46(38)51)31-26-39-34-16-6-7-18-37(34)45-48(50-42-20-10-9-19-41(42)49-45)52-43-21-11-8-17-35(43)40(27-31)47(39)52;1-2-13-32(14-3-1)51-43-25-23-29-12-4-5-15-33(29)45(43)37-24-22-30(28-44(37)51)31-26-38-34-16-6-7-18-36(34)46-48(50-41-20-10-9-19-40(41)49-46)52-42-21-11-8-17-35(42)39(27-31)47(38)52/h3*1-28H.

What are the key properties of 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene?

20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene has a molecular weight of 1982.34 g/mol, XLogP of 36.87, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene is sourced from PubChem (CID 159486049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).