7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene

C56H31N3 — CID 169056849

About 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene

7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene (PubChem CID 169056849) has the molecular formula C56H31N3 and a molecular weight of 745.89 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene.

Molecular Properties

• Compound Name: 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene
• PubChem CID: 169056849
• Molecular Formula: C56H31N3
• Molecular Weight: 745.89 g/mol
• Exact Mass: 745.25
• IUPAC Name: 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5c6cccc7c8cc9c(cc8n(c45)c76)c4cccc5c6c7ccccc7ccc6n9c45)ccc32)cc1
• InChI: InChI=1S/C56H31N3/c1-2-14-35(15-3-1)57-47-23-9-8-18-38(47)44-29-34(25-26-48(44)57)43-28-33-13-5-7-17-37(33)53-42-22-11-20-40-46-30-50-45(31-51(46)59(55(40)42)56(43)53)39-19-10-21-41-52-36-16-6-4-12-32(36)24-27-49(52)58(50)54(39)41/h1-31H
• InChIKey: ZDHPXKCLVOABCY-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 13.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.89
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene?

The IUPAC name of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene (CID 169056849) is 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene.

What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene?

The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5c6cccc7c8cc9c(cc8n(c45)c76)c4cccc5c6c7ccccc7ccc6n9c45)ccc32)cc1.

What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene?

The InChIKey is ZDHPXKCLVOABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31N3/c1-2-14-35(15-3-1)57-47-23-9-8-18-38(47)44-29-34(25-26-48(44)57)43-28-33-13-5-7-17-37(33)53-42-22-11-20-40-46-30-50-45(31-51(46)59(55(40)42)56(43)53)39-19-10-21-41-52-36-16-6-4-12-32(36)24-27-49(52)58(50)54(39)41/h1-31H.

What are the key properties of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene?

7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene has a molecular weight of 745.89 g/mol, XLogP of 15.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35,37-nonadecaene is sourced from PubChem (CID 169056849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).