7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene

C54H29N5 — CID 169056183

About 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene

7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene (PubChem CID 169056183) 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[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene.

Molecular Properties

• Compound Name: 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
• PubChem CID: 169056183
• 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[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8nc9c(nc8n(c45)c67)c4cccc5c6cc7ccccc7cc6n9c54)ccc32)cc1
• InChI: InChI=1S/C54H29N5/c1-2-15-34(16-3-1)57-44-23-9-8-18-36(44)41-28-33(24-25-45(41)57)47-35-17-7-6-14-32(35)27-43-38-20-11-22-40-49-54(59(51(38)40)52(43)47)56-48-39-21-10-19-37-42-26-30-12-4-5-13-31(30)29-46(42)58(50(37)39)53(48)55-49/h1-29H
• InChIKey: HGQOIWXYQCYGND-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[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The IUPAC name of 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene (CID 169056183) is 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene.

What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6cccc7c8nc9c(nc8n(c45)c67)c4cccc5c6cc7ccccc7cc6n9c54)ccc32)cc1.

What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

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

What are the key properties of 7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-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[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene is sourced from PubChem (CID 169056183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).