6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene

C81H57N5 — CID 169056276

IUPAC6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene
SMILESCC(C)(C)c1cc2c3c4c5cc(C(C)(C)C)cc6c7c8ccccc8cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7n(c4ncc3n3c4c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc7ccccc7c4c(c1)c23)c56
InChIInChI=1S/C81H57N5/c1-80(2,3)50-41-62-71-54-27-15-13-21-46(54)37-58(48-33-35-68-60(39-48)56-29-17-19-31-66(56)83(68)52-23-9-7-10-24-52)77(71)85-70-45-82-79-74(73(70)64(43-50)75(62)85)65-44-51(81(4,5)6)42-63-72-55-28-16-14-22-47(55)38-59(78(72)86(79)76(63)65)49-34-36-69-61(40-49)57-30-18-20-32-67(57)84(69)53-25-11-8-12-26-53/h7-45H,1-6H3
InChIKeyDEPVVSMVYVJQGU-UHFFFAOYSA-N
MW1100.38 g/mol
LogP21.81
Rot. Bonds4

About 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene

6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene (PubChem CID 169056276) has the molecular formula C81H57N5 and a molecular weight of 1100.38 g/mol. Its IUPAC name is 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene.

Molecular Properties

Compound Name6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene
PubChem CID169056276
Molecular FormulaC81H57N5
Molecular Weight1100.38 g/mol
Exact Mass1099.46
IUPAC Name6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene
SMILESCC(C)(C)c1cc2c3c4c5cc(C(C)(C)C)cc6c7c8ccccc8cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7n(c4ncc3n3c4c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc7ccccc7c4c(c1)c23)c56
InChIInChI=1S/C81H57N5/c1-80(2,3)50-41-62-71-54-27-15-13-21-46(54)37-58(48-33-35-68-60(39-48)56-29-17-19-31-66(56)83(68)52-23-9-7-10-24-52)77(71)85-70-45-82-79-74(73(70)64(43-50)75(62)85)65-44-51(81(4,5)6)42-63-72-55-28-16-14-22-47(55)38-59(78(72)86(79)76(63)65)49-34-36-69-61(40-49)57-30-18-20-32-67(57)84(69)53-25-11-8-12-26-53/h7-45H,1-6H3
InChIKeyDEPVVSMVYVJQGU-UHFFFAOYSA-N
XLogP21.81
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.38
LogP ≤ 521.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene with MolForge

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Related Compounds

6,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene
CID 169056799
6,11,24-tritert-butyl-13,22-bis(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
CID 169056597
6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.027,32.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25,27,29,31,33,35(39),36-nonadecaene
CID 169056262
15,28-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13(18),14,16,20,22,25(30),26,28,31,33,35,37-nonadecaene
CID 169056882
6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9(18),10,12,14,16,21,25,27,29,31,33,35(39),36-nonadecaene
CID 169056082
15,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(34),26,28,30,32,35(39),36-nonadecaene
CID 169056007
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
22-(9-phenylcarbazol-3-yl)-15,18,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,26.027,35.028,33.015,36]hexatriaconta-1(34),2,4,6,8(36),9,11,13,16,18,21(26),22,24,27(35),28,30,32-heptadecaene
CID 169057163
15,37-ditert-butyl-26-(9-phenylcarbazol-3-yl)-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.027,32.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13(18),14,16,20,22,25,27,29,31,33,35(39),36-nonadecaene
CID 169056198
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
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
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

Frequently Asked Questions

What is the IUPAC name of 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene?
The IUPAC name of 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene (CID 169056276) is 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene.
What is the SMILES notation for 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene?
The canonical SMILES for 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene is CC(C)(C)c1cc2c3c4c5cc(C(C)(C)C)cc6c7c8ccccc8cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7n(c4ncc3n3c4c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc7ccccc7c4c(c1)c23)c56.
What is the InChIKey of 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene?
The InChIKey is DEPVVSMVYVJQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57N5/c1-80(2,3)50-41-62-71-54-27-15-13-21-46(54)37-58(48-33-35-68-60(39-48)56-29-17-19-31-66(56)83(68)52-23-9-7-10-24-52)77(71)85-70-45-82-79-74(73(70)64(43-50)75(62)85)65-44-51(81(4,5)6)42-63-72-55-28-16-14-22-47(55)38-59(78(72)86(79)76(63)65)49-34-36-69-61(40-49)57-30-18-20-32-67(57)84(69)53-25-11-8-12-26-53/h7-45H,1-6H3.
What are the key properties of 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene?
6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene has a molecular weight of 1100.38 g/mol, XLogP of 21.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,37-ditert-butyl-17,26-bis(9-phenylcarbazol-3-yl)-19,21,24-triazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4,6,8(40),9(18),10,12,14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaene is sourced from PubChem (CID 169056276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).