18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene

C62H45N5 — CID 169056030

About 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene

18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene (PubChem CID 169056030) has the molecular formula C62H45N5 and a molecular weight of 860.08 g/mol. Its IUPAC name is 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene.

Molecular Properties

• Compound Name: 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
• PubChem CID: 169056030
• Molecular Formula: C62H45N5
• Molecular Weight: 860.08 g/mol
• Exact Mass: 859.37
• IUPAC Name: 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene
• SMILES: CC(C)(C)c1cc2c3cc4ccccc4cc3n3c4nc5c6cc(C(C)(C)C)cc7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5nc4c(c1)c23)c76
• InChI: InChI=1S/C62H45N5/c1-61(2,3)38-30-46-44-26-34-16-10-11-17-35(34)29-52(44)66-56(46)48(32-38)54-59(66)63-55-49-33-39(62(4,5)6)31-47-45-27-36-18-12-13-21-41(36)53(58(45)67(57(47)49)60(55)64-54)37-24-25-51-43(28-37)42-22-14-15-23-50(42)65(51)40-19-8-7-9-20-40/h7-33H,1-6H3
• InChIKey: KLWPAYIXSFOFRO-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 39.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.08
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The IUPAC name of 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene (CID 169056030) is 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene.

What is the SMILES notation for 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The canonical SMILES for 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene is CC(C)(C)c1cc2c3cc4ccccc4cc3n3c4nc5c6cc(C(C)(C)C)cc7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5nc4c(c1)c23)c76.

What is the InChIKey of 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

The InChIKey is KLWPAYIXSFOFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N5/c1-61(2,3)38-30-46-44-26-34-16-10-11-17-35(34)29-52(44)66-56(46)48(32-38)54-59(66)63-55-49-33-39(62(4,5)6)31-47-45-27-36-18-12-13-21-41(36)53(58(45)67(57(47)49)60(55)64-54)37-24-25-51-43(28-37)42-22-14-15-23-50(42)65(51)40-19-8-7-9-20-40/h7-33H,1-6H3.

What are the key properties of 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene?

18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene has a molecular weight of 860.08 g/mol, XLogP of 16.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 18,37-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,22,24-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,34.027,32.035,39.020,40]tetraconta-1(38),2(23),3,6,8,10,12,14,16(40),17,19,21,25,27,29,31,33,35(39),36-nonadecaene is sourced from PubChem (CID 169056030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).