7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene

C55H30N4 — CID 169055856

About 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene

7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene (PubChem CID 169055856) has the molecular formula C55H30N4 and a molecular weight of 746.87 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene.

Molecular Properties

• Compound Name: 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene
• PubChem CID: 169055856
• Molecular Formula: C55H30N4
• Molecular Weight: 746.87 g/mol
• Exact Mass: 746.25
• IUPAC Name: 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8nc9c(cc8n(c45)c67)c4cc5ccccc5c5c6ccccc6n9c45)ccc32)cc1
• InChI: InChI=1S/C55H30N4/c1-2-15-34(16-3-1)57-45-23-10-8-19-37(45)41-29-33(25-26-47(41)57)49-35-17-6-4-13-31(35)27-42-38-21-12-22-40-51-48(58(52(38)40)53(42)49)30-44-43-28-32-14-5-7-18-36(32)50-39-20-9-11-24-46(39)59(54(43)50)55(44)56-51/h1-30H
• InChIKey: ROXNNXBOQNWVIZ-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 26.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.87
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene?

The IUPAC name of 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene (CID 169055856) is 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene.

What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene?

The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8nc9c(cc8n(c45)c67)c4cc5ccccc5c5c6ccccc6n9c45)ccc32)cc1.

What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene?

The InChIKey is ROXNNXBOQNWVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4/c1-2-15-34(16-3-1)57-45-23-10-8-19-37(45)41-29-33(25-26-47(41)57)49-35-17-6-4-13-31(35)27-42-38-21-12-22-40-51-48(58(52(38)40)53(42)49)30-44-43-28-32-14-5-7-18-36(32)50-39-20-9-11-24-46(39)59(54(43)50)55(44)56-51/h1-30H.

What are the key properties of 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene?

7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene has a molecular weight of 746.87 g/mol, XLogP of 14.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9-phenylcarbazol-3-yl)-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31(39),32,34,36-nonadecaene is sourced from PubChem (CID 169055856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).