9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene

C82H58N4 — CID 169056763

About 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene

9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene (PubChem CID 169056763) has the molecular formula C82H58N4 and a molecular weight of 1099.39 g/mol. Its IUPAC name is 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene
• PubChem CID: 169056763
• Molecular Formula: C82H58N4
• Molecular Weight: 1099.39 g/mol
• Exact Mass: 1098.47
• IUPAC Name: 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(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)cc3c4cc5c(cc4n2c31)c1c2ccccc2cc2c3c4ccccc4cc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c21
• InChI: InChI=1S/C82H58N4/c1-81(2,3)51-41-60(50-34-36-72-62(39-50)58-30-18-20-32-70(58)84(72)54-25-11-8-12-26-54)77-65(43-51)66-44-52(82(4,5)6)42-64-63-45-74-67(46-73(63)85(77)78(64)66)75-55-27-15-14-22-48(55)40-68-76-56-28-16-13-21-47(56)37-59(79(76)86(74)80(68)75)49-33-35-71-61(38-49)57-29-17-19-31-69(57)83(71)53-23-9-7-10-24-53/h7-46H,1-6H3
• InChIKey: XCZXJAFYHJDVGE-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 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

The IUPAC name of 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene (CID 169056763) is 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene.

What is the SMILES notation for 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

The canonical SMILES for 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(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)cc3c4cc5c(cc4n2c31)c1c2ccccc2cc2c3c4ccccc4cc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c3n5c21.

What is the InChIKey of 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

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

What are the key properties of 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene?

9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(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 9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene is sourced from PubChem (CID 169056763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).