7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene

C73H41N5 — CID 169057522

About 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene

7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene (PubChem CID 169057522) has the molecular formula C73H41N5 and a molecular weight of 988.17 g/mol. Its IUPAC name is 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene
• PubChem CID: 169057522
• Molecular Formula: C73H41N5
• Molecular Weight: 988.17 g/mol
• Exact Mass: 987.34
• IUPAC Name: 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cc7ccccc7c7c8nc9c(cc8n(c45)c67)c4cccc5c6cc7ccccc7c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6n9c45)ccc32)cc1
• InChI: InChI=1S/C73H41N5/c1-3-19-46(20-4-1)75-61-31-13-11-25-51(61)56-37-44(33-35-63(56)75)50-27-15-28-53-59-39-43-18-8-10-24-49(43)67-68-65(77(69(50)53)72(59)67)41-60-55-30-16-29-54-58-38-42-17-7-9-23-48(42)66(71(58)78(70(54)55)73(60)74-68)45-34-36-64-57(40-45)52-26-12-14-32-62(52)76(64)47-21-5-2-6-22-47/h1-41H
• InChIKey: CMFOKSDDYHXHEF-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 31.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.17
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene?

The IUPAC name of 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene (CID 169057522) is 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene.

What is the SMILES notation for 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene?

The canonical SMILES for 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cc7ccccc7c7c8nc9c(cc8n(c45)c67)c4cccc5c6cc7ccccc7c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6n9c45)ccc32)cc1.

What is the InChIKey of 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene?

The InChIKey is CMFOKSDDYHXHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H41N5/c1-3-19-46(20-4-1)75-61-31-13-11-25-51(61)56-37-44(33-35-63(56)75)50-27-15-28-53-59-39-43-18-8-10-24-49(43)67-68-65(77(69(50)53)72(59)67)41-60-55-30-16-29-54-58-38-42-17-7-9-23-48(42)66(71(58)78(70(54)55)73(60)74-68)45-34-36-64-57(40-45)52-26-12-14-32-62(52)76(64)47-21-5-2-6-22-47/h1-41H.

What are the key properties of 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene?

7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene has a molecular weight of 988.17 g/mol, XLogP of 19.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,26-bis(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[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(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaene is sourced from PubChem (CID 169057522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).