13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene

C52H29N3 — CID 169056844

About 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene

13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene (PubChem CID 169056844) has the molecular formula C52H29N3 and a molecular weight of 695.83 g/mol. Its IUPAC name is 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene.

Molecular Properties

• Compound Name: 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene
• PubChem CID: 169056844
• Molecular Formula: C52H29N3
• Molecular Weight: 695.83 g/mol
• Exact Mass: 695.24
• IUPAC Name: 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c%10cc%11ccccc%11c%11c%12ccccc%12n(c9ccc8n(c45)c67)c%10%11)ccc32)cc1
• InChI: InChI=1S/C52H29N3/c1-2-13-32(14-3-1)53-42-22-8-6-16-35(42)40-28-31(24-25-44(40)53)34-18-10-19-36-37-20-11-21-39-48-46(55(50(34)36)51(37)39)27-26-45-49(48)41-29-30-12-4-5-15-33(30)47-38-17-7-9-23-43(38)54(45)52(41)47/h1-29H
• InChIKey: JGLCEEKCZZGWRS-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 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene?

The IUPAC name of 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene (CID 169056844) is 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene.

What is the SMILES notation for 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene?

The canonical SMILES for 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c%10cc%11ccccc%11c%11c%12ccccc%12n(c9ccc8n(c45)c67)c%10%11)ccc32)cc1.

What is the InChIKey of 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene?

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

What are the key properties of 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene?

13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-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 13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21,23,25,27(35),28,30,32-heptadecaene is sourced from PubChem (CID 169056844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).