9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene

C63H52N4 — CID 169056547

About 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene

9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene (PubChem CID 169056547) has the molecular formula C63H52N4 and a molecular weight of 865.14 g/mol. Its IUPAC name is 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene.

Molecular Properties

• Compound Name: 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene
• PubChem CID: 169056547
• Molecular Formula: C63H52N4
• Molecular Weight: 865.14 g/mol
• Exact Mass: 864.42
• IUPAC Name: 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(nc4n2c13)c1cc(C(C)(C)C)cc2c3c4ccccc4cc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c12
• InChI: InChI=1S/C63H52N4/c1-61(2,3)37-24-26-53-45(29-37)46-30-38(62(4,5)6)31-47-48-34-54-56(64-60(48)67(53)57(46)47)50-33-39(63(7,8)9)32-49-55-41-20-14-13-17-35(41)27-43(59(55)66(54)58(49)50)36-23-25-52-44(28-36)42-21-15-16-22-51(42)65(52)40-18-11-10-12-19-40/h10-34H,1-9H3
• InChIKey: IBGXVHCLNWDLOB-UHFFFAOYSA-N
• XLogP: 17.19
• 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	865.14
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene?

The IUPAC name of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene (CID 169056547) is 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene.

What is the SMILES notation for 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene?

The canonical SMILES for 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(nc4n2c13)c1cc(C(C)(C)C)cc2c3c4ccccc4cc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c12.

What is the InChIKey of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene?

The InChIKey is IBGXVHCLNWDLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N4/c1-61(2,3)37-24-26-53-45(29-37)46-30-38(62(4,5)6)31-47-48-34-54-56(64-60(48)67(53)57(46)47)50-33-39(63(7,8)9)32-49-55-41-20-14-13-17-35(41)27-43(59(55)66(54)58(49)50)36-23-25-52-44(28-36)42-21-15-16-22-51(42)65(52)40-18-11-10-12-19-40/h10-34H,1-9H3.

What are the key properties of 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene?

9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene has a molecular weight of 865.14 g/mol, XLogP of 17.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.024,29.031,35.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(30),22,24,26,28,31(35),32-heptadecaene is sourced from PubChem (CID 169056547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).