6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene

C82H58N4 — CID 169056555

About 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene

6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene (PubChem CID 169056555) has the molecular formula C82H58N4 and a molecular weight of 1099.39 g/mol. Its IUPAC name is 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene
• PubChem CID: 169056555
• Molecular Formula: C82H58N4
• Molecular Weight: 1099.39 g/mol
• Exact Mass: 1098.47
• IUPAC Name: 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4c5c6c7ccccc7cc7c8c9ccccc9cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ccc4n2c13)c76
• InChI: InChI=1S/C82H58N4/c1-81(2,3)51-43-60(50-34-36-70-62(41-50)58-30-18-20-32-68(58)84(70)54-25-11-8-12-26-54)77-63(44-51)64-45-52(82(4,5)6)46-66-74-71(85(77)78(64)66)37-38-72-76(74)75-56-28-16-14-22-48(56)42-65-73-55-27-15-13-21-47(55)39-59(79(73)86(72)80(65)75)49-33-35-69-61(40-49)57-29-17-19-31-67(57)83(69)53-23-9-7-10-24-53/h7-46H,1-6H3
• InChIKey: LTJYHFVGMCOJPZ-UHFFFAOYSA-N
• XLogP: 22.42
• TPSA: 18.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.39
LogP ≤ 5	22.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

The IUPAC name of 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene (CID 169056555) is 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene.

What is the SMILES notation for 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

The canonical SMILES for 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4c5c6c7ccccc7cc7c8c9ccccc9cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ccc4n2c13)c76.

What is the InChIKey of 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

The InChIKey is LTJYHFVGMCOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N4/c1-81(2,3)51-43-60(50-34-36-70-62(41-50)58-30-18-20-32-68(58)84(70)54-25-11-8-12-26-54)77-63(44-51)64-45-52(82(4,5)6)46-66-74-71(85(77)78(64)66)37-38-72-76(74)75-56-28-16-14-22-48(56)42-65-73-55-27-15-13-21-47(55)39-59(79(73)86(72)80(65)75)49-33-35-69-61(40-49)57-29-17-19-31-67(57)83(69)53-23-9-7-10-24-53/h7-46H,1-6H3.

What are the key properties of 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene has a molecular weight of 1099.39 g/mol, XLogP of 22.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11-ditert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31,33,35,37-nonadecaene is sourced from PubChem (CID 169056555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).