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

C63H46N4 — CID 169056262

IUPAC6,37-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
SMILESCC(C)(C)c1cc2c3cc4ccccc4cc3n3c4cnc5c(c6cc(C(C)(C)C)cc7c8c9ccccc9cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n5c67)c4c(c1)c23
InChIInChI=1S/C63H46N4/c1-62(2,3)39-30-47-46-26-35-16-10-11-17-36(35)29-53(46)66-54-34-64-61-57(56(54)49(32-39)58(47)66)50-33-40(63(4,5)6)31-48-55-42-21-13-12-18-37(42)27-44(60(55)67(61)59(48)50)38-24-25-52-45(28-38)43-22-14-15-23-51(43)65(52)41-19-8-7-9-20-41/h7-34H,1-6H3
InChIKeyVHPLKFKKWXCTMX-UHFFFAOYSA-N
MW859.09 g/mol
LogP17.05
Rot. Bonds2

About 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

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 (PubChem CID 169056262) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,37-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
PubChem CID169056262
Molecular FormulaC63H46N4
Molecular Weight859.09 g/mol
Exact Mass858.37
IUPAC Name6,37-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
SMILESCC(C)(C)c1cc2c3cc4ccccc4cc3n3c4cnc5c(c6cc(C(C)(C)C)cc7c8c9ccccc9cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n5c67)c4c(c1)c23
InChIInChI=1S/C63H46N4/c1-62(2,3)39-30-47-46-26-35-16-10-11-17-36(35)29-53(46)66-54-34-64-61-57(56(54)49(32-39)58(47)66)50-33-40(63(4,5)6)31-48-55-42-21-13-12-18-37(42)27-44(60(55)67(61)59(48)50)38-24-25-52-45(28-38)43-22-14-15-23-51(43)65(52)41-19-8-7-9-20-41/h7-34H,1-6H3
InChIKeyVHPLKFKKWXCTMX-UHFFFAOYSA-N
XLogP17.05
TPSA26.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.09
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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-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
6,37-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
15,28-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
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-(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055845
13-(9-phenylcarbazol-3-yl)-15,17,20-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 169056190
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
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-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene
CID 169057278

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc2c3cc4ccccc4cc3n3c4cnc5c(c6cc(C(C)(C)C)cc7c8c9ccccc9cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n5c67)c4c(c1)c23.
What is the InChIKey of 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?
The InChIKey is VHPLKFKKWXCTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-62(2,3)39-30-47-46-26-35-16-10-11-17-36(35)29-53(46)66-54-34-64-61-57(56(54)49(32-39)58(47)66)50-33-40(63(4,5)6)31-48-55-42-21-13-12-18-37(42)27-44(60(55)67(61)59(48)50)38-24-25-52-45(28-38)43-22-14-15-23-51(43)65(52)41-19-8-7-9-20-41/h7-34H,1-6H3.
What are the key properties of 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?
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 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 6,37-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 is sourced from PubChem (CID 169056262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).