6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene

C64H47N3 — CID 169056340

About 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene

6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene (PubChem CID 169056340) has the molecular formula C64H47N3 and a molecular weight of 858.10 g/mol. Its IUPAC name is 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene.

Molecular Properties

• Compound Name: 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene
• PubChem CID: 169056340
• Molecular Formula: C64H47N3
• Molecular Weight: 858.10 g/mol
• Exact Mass: 857.38
• IUPAC Name: 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene
• SMILES: CC(C)(C)c1cc2c3cc4ccccc4cc3n3c4ccc5c(c6cc(C(C)(C)C)cc7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n5c76)c4c(c1)c23
• InChI: InChI=1S/C64H47N3/c1-63(2,3)40-32-48-46-28-36-16-10-11-17-37(36)31-56(46)66-54-26-27-55-59(58(54)50(34-40)60(48)66)51-35-41(64(4,5)6)33-49-47-29-38-18-12-13-21-43(38)57(62(47)67(55)61(49)51)39-24-25-53-45(30-39)44-22-14-15-23-52(44)65(53)42-19-8-7-9-20-42/h7-35H,1-6H3
• InChIKey: JDBGHHLXYDPIIU-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 13.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.10
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene?

The IUPAC name of 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene (CID 169056340) is 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene.

What is the SMILES notation for 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene?

The canonical SMILES for 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene is CC(C)(C)c1cc2c3cc4ccccc4cc3n3c4ccc5c(c6cc(C(C)(C)C)cc7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n5c76)c4c(c1)c23.

What is the InChIKey of 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene?

The InChIKey is JDBGHHLXYDPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3/c1-63(2,3)40-32-48-46-28-36-16-10-11-17-37(36)31-56(46)66-54-26-27-55-59(58(54)50(34-40)60(48)66)51-35-41(64(4,5)6)33-49-47-29-38-18-12-13-21-43(38)57(62(47)67(55)61(49)51)39-24-25-53-45(30-39)44-22-14-15-23-52(44)65(53)42-19-8-7-9-20-42/h7-35H,1-6H3.

What are the key properties of 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene?

6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene has a molecular weight of 858.10 g/mol, XLogP of 17.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene is sourced from PubChem (CID 169056340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).