18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene

C63H46N4 — CID 169056802

About 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene

18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene (PubChem CID 169056802) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene.

Molecular Properties

• Compound Name: 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
• PubChem CID: 169056802
• Molecular Formula: C63H46N4
• Molecular Weight: 859.09 g/mol
• Exact Mass: 858.37
• IUPAC Name: 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
• SMILES: CC(C)(C)c1cc2c3cc4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3n3c4cc5c6cc(C(C)(C)C)cc7c8ccc9ccccc9c8n(c5nc4c(c1)c23)c67
• InChI: InChI=1S/C63H46N4/c1-62(2,3)38-30-47-44-26-24-35-16-10-13-21-42(35)57(44)67-58(47)49(32-38)50-34-54-56(64-61(50)67)51-33-39(63(4,5)6)31-48-46-28-36-17-11-12-20-41(36)55(60(46)66(54)59(48)51)37-25-27-53-45(29-37)43-22-14-15-23-52(43)65(53)40-18-8-7-9-19-40/h7-34H,1-6H3
• InChIKey: TVCKWYBNHMUVNY-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 26.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.09
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The IUPAC name of 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene (CID 169056802) is 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene.

What is the SMILES notation for 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The canonical SMILES for 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene is CC(C)(C)c1cc2c3cc4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3n3c4cc5c6cc(C(C)(C)C)cc7c8ccc9ccccc9c8n(c5nc4c(c1)c23)c67.

What is the InChIKey of 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The InChIKey is TVCKWYBNHMUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-62(2,3)38-30-47-44-26-24-35-16-10-13-21-42(35)57(44)67-58(47)49(32-38)50-34-54-56(64-61(50)67)51-33-39(63(4,5)6)31-48-46-28-36-17-11-12-20-41(36)55(60(46)66(54)59(48)51)37-25-27-53-45(29-37)43-22-14-15-23-52(43)65(53)40-18-8-7-9-19-40/h7-34H,1-6H3.

What are the key properties of 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene has a molecular weight of 859.09 g/mol, XLogP of 17.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene is sourced from PubChem (CID 169056802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).