4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene

C144H90N12 — CID 158710008

About 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene

4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene (PubChem CID 158710008) has the molecular formula C144H90N12 and a molecular weight of 1988.39 g/mol. Its IUPAC name is 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene
• PubChem CID: 158710008
• Molecular Formula: C144H90N12
• Molecular Weight: 1988.39 g/mol
• Exact Mass: 1986.74
• IUPAC Name: 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-n5c6cc7c8ccccc8n(-c8ccccc8)c7cc6c6cccc4c65)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-n5c6ccc7c(c8ccccc8n7-c7ccccc7)c6c6cccc4c65)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-n5c6ccc7c8ccccc8n(-c8ccccc8)c7c6c6cccc4c65)ccc32)cc1
• InChI: InChI=1S/3C48H30N4/c1-3-14-31(15-4-1)49-39-21-9-8-19-35(39)38-30-33(26-28-41(38)49)50-42-23-11-12-24-43(42)52-44-29-27-36-34-18-7-10-22-40(34)51(32-16-5-2-6-17-32)48(36)46(44)37-20-13-25-45(50)47(37)52;1-3-14-31(15-4-1)49-40-21-9-7-18-34(40)37-28-33(26-27-42(37)49)51-43-23-11-12-24-44(43)52-47-29-38-35-19-8-10-22-41(35)50(32-16-5-2-6-17-32)46(38)30-39(47)36-20-13-25-45(51)48(36)52;1-3-14-31(15-4-1)49-38-21-9-7-18-34(38)37-30-33(26-27-40(37)49)51-41-23-11-12-24-42(41)52-44-29-28-43-46(47(44)36-20-13-25-45(51)48(36)52)35-19-8-10-22-39(35)50(43)32-16-5-2-6-17-32/h3*1-30H
• InChIKey: IIPGSJHLKQCSSW-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-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene?

The IUPAC name of 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene (CID 158710008) is 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene.

What is the SMILES notation for 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene?

The canonical SMILES for 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene is c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-n5c6cc7c8ccccc8n(-c8ccccc8)c7cc6c6cccc4c65)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-n5c6ccc7c(c8ccccc8n7-c7ccccc7)c6c6cccc4c65)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-n5c6ccc7c8ccccc8n(-c8ccccc8)c7c6c6cccc4c65)ccc32)cc1.

What is the InChIKey of 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene?

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

What are the key properties of 4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene?

4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-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-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene is sourced from PubChem (CID 158710008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).