9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene

C62H51N5 — CID 169056698

About 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene

9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene (PubChem CID 169056698) has the molecular formula C62H51N5 and a molecular weight of 866.12 g/mol. Its IUPAC name is 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene.

Molecular Properties

• Compound Name: 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene
• PubChem CID: 169056698
• Molecular Formula: C62H51N5
• Molecular Weight: 866.12 g/mol
• Exact Mass: 865.41
• IUPAC Name: 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4nc5c(nc4n2c13)c1cc(C(C)(C)C)cc2c3cc4ccccc4c(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c21
• InChI: InChI=1S/C62H51N5/c1-60(2,3)36-24-26-51-43(29-36)45-30-37(61(4,5)6)32-47-53-58(66(51)55(45)47)63-54-48-33-38(62(7,8)9)31-46-44-27-34-17-13-14-20-40(34)52(57(44)67(56(46)48)59(54)64-53)35-23-25-50-42(28-35)41-21-15-16-22-49(41)65(50)39-18-11-10-12-19-39/h10-33H,1-9H3
• InChIKey: VERRZIPIBKFLHO-UHFFFAOYSA-N
• XLogP: 16.59
• 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	866.12
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene?

The IUPAC name of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene (CID 169056698) is 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene.

What is the SMILES notation for 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene?

The canonical SMILES for 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4nc5c(nc4n2c13)c1cc(C(C)(C)C)cc2c3cc4ccccc4c(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c21.

What is the InChIKey of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene?

The InChIKey is VERRZIPIBKFLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N5/c1-60(2,3)36-24-26-51-43(29-36)45-30-37(61(4,5)6)32-47-53-58(66(51)55(45)47)63-54-48-33-38(62(7,8)9)31-46-44-27-34-17-13-14-20-40(34)52(57(44)67(56(46)48)59(54)64-53)35-23-25-50-42(28-35)41-21-15-16-22-49(41)65(50)39-18-11-10-12-19-39/h10-33H,1-9H3.

What are the key properties of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene?

9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene has a molecular weight of 866.12 g/mol, XLogP of 16.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene is sourced from PubChem (CID 169056698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).