26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene

C52H29N3 — CID 169056728

About 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene

26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene (PubChem CID 169056728) has the molecular formula C52H29N3 and a molecular weight of 695.83 g/mol. Its IUPAC name is 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene.

Molecular Properties

• Compound Name: 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene
• PubChem CID: 169056728
• Molecular Formula: C52H29N3
• Molecular Weight: 695.83 g/mol
• Exact Mass: 695.24
• IUPAC Name: 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c(ccc%10c%11cccc%12c%13ccccc%13n(c%12%11)c%109)ccc8n(c45)c67)ccc32)cc1
• InChI: InChI=1S/C52H29N3/c1-2-11-32(12-3-1)53-43-21-6-5-14-35(43)42-29-31(25-27-45(42)53)33-15-8-17-37-38-19-10-20-41-48-46(55(49(33)37)51(38)41)28-24-30-23-26-40-39-18-9-16-36-34-13-4-7-22-44(34)54(50(36)39)52(40)47(30)48/h1-29H
• InChIKey: JJVHAOLIVWDMFI-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 13.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.83
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene?

The IUPAC name of 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene (CID 169056728) is 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene.

What is the SMILES notation for 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene?

The canonical SMILES for 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c(ccc%10c%11cccc%12c%13ccccc%13n(c%12%11)c%109)ccc8n(c45)c67)ccc32)cc1.

What is the InChIKey of 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene?

The InChIKey is JJVHAOLIVWDMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3/c1-2-11-32(12-3-1)53-43-21-6-5-14-35(43)42-29-31(25-27-45(42)53)33-15-8-17-37-38-19-10-20-41-48-46(55(49(33)37)51(38)41)28-24-30-23-26-40-39-18-9-16-36-34-13-4-7-22-44(34)54(50(36)39)52(40)47(30)48/h1-29H.

What are the key properties of 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene?

26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene has a molecular weight of 695.83 g/mol, XLogP of 13.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene is sourced from PubChem (CID 169056728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).