6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene

C63H46N4 — CID 169056390

About 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene

6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene (PubChem CID 169056390) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene
• PubChem CID: 169056390
• Molecular Formula: C63H46N4
• Molecular Weight: 859.09 g/mol
• Exact Mass: 858.37
• IUPAC Name: 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6c7ccccc7cc7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ncc4n2c13)c76
• InChI: InChI=1S/C63H46N4/c1-62(2,3)38-25-27-52-45(31-38)48-32-39(63(4,5)6)33-49-55-53(66(52)58(48)49)34-64-61-57(55)56-42-21-13-11-17-36(42)29-47-46-28-35-16-10-12-20-41(35)54(59(46)67(61)60(47)56)37-24-26-51-44(30-37)43-22-14-15-23-50(43)65(51)40-18-8-7-9-19-40/h7-34H,1-6H3
• InChIKey: LZIOIVRMHKEEEU-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 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

The IUPAC name of 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene (CID 169056390) is 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene.

What is the SMILES notation for 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

The canonical SMILES for 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6c7ccccc7cc7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ncc4n2c13)c76.

What is the InChIKey of 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

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

What are the key properties of 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-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 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,18,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene is sourced from PubChem (CID 169056390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).