7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene

C54H29N5 — CID 169057233

About 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene

7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene (PubChem CID 169057233) has the molecular formula C54H29N5 and a molecular weight of 747.86 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene
• PubChem CID: 169057233
• Molecular Formula: C54H29N5
• Molecular Weight: 747.86 g/mol
• Exact Mass: 747.24
• IUPAC Name: 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8nc9c(nc8n(c45)c67)c4c5ccccc5cc5c6ccccc6n9c54)ccc32)cc1
• InChI: InChI=1S/C54H29N5/c1-2-15-33(16-3-1)57-43-23-10-8-19-36(43)40-29-32(25-26-45(40)57)46-34-17-6-4-13-30(34)28-42-38-21-12-22-39-48-53(59(50(38)39)51(42)46)56-49-47-35-18-7-5-14-31(35)27-41-37-20-9-11-24-44(37)58(52(41)47)54(49)55-48/h1-29H
• InChIKey: FJLHGDJAKUAOCY-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 39.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.86
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene?

The IUPAC name of 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene (CID 169057233) is 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene.

What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene?

The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8nc9c(nc8n(c45)c67)c4c5ccccc5cc5c6ccccc6n9c54)ccc32)cc1.

What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene?

The InChIKey is FJLHGDJAKUAOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H29N5/c1-2-15-33(16-3-1)57-43-23-10-8-19-36(43)40-29-32(25-26-45(40)57)46-34-17-6-4-13-30(34)28-42-38-21-12-22-39-48-53(59(50(38)39)51(42)46)56-49-47-35-18-7-5-14-31(35)27-41-37-20-9-11-24-44(37)58(52(41)47)54(49)55-48/h1-29H.

What are the key properties of 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene?

7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene has a molecular weight of 747.86 g/mol, XLogP of 13.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16(40),17,19,22,25,27,29,31,33,35,37-nonadecaene is sourced from PubChem (CID 169057233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).