6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene

C64H47N3 — CID 169055842

IUPAC6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc7ccccc7c7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ccc4n2c13)c67
InChIInChI=1S/C64H47N3/c1-63(2,3)39-25-27-53-46(33-39)47-34-40(64(4,5)6)35-50-59-54(66(53)60(47)50)28-29-55-58(59)49-31-37-17-11-13-21-43(37)57-48-30-36-16-10-12-20-42(36)56(61(48)67(55)62(49)57)38-24-26-52-45(32-38)44-22-14-15-23-51(44)65(52)41-18-8-7-9-19-41/h7-35H,1-6H3
InChIKeySUMTYFGNKZLDEB-UHFFFAOYSA-N
MW858.10 g/mol
LogP17.65
Rot. Bonds2

About 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene

6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene (PubChem CID 169055842) has the molecular formula C64H47N3 and a molecular weight of 858.10 g/mol. Its IUPAC name is 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene.

Molecular Properties

Compound Name6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
PubChem CID169055842
Molecular FormulaC64H47N3
Molecular Weight858.10 g/mol
Exact Mass857.38
IUPAC Name6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc7ccccc7c7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ccc4n2c13)c67
InChIInChI=1S/C64H47N3/c1-63(2,3)39-25-27-53-46(33-39)47-34-40(64(4,5)6)35-50-59-54(66(53)60(47)50)28-29-55-58(59)49-31-37-17-11-13-21-43(37)57-48-30-36-16-10-12-20-42(36)56(61(48)67(55)62(49)57)38-24-26-52-45(32-38)44-22-14-15-23-51(44)65(52)41-18-8-7-9-19-41/h7-35H,1-6H3
InChIKeySUMTYFGNKZLDEB-UHFFFAOYSA-N
XLogP17.65
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.10
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene
CID 169056340
9,14-ditert-butyl-22-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169057053
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
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
6,37-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
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
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
9,14,33-tritert-butyl-22-(9-phenylcarbazol-3-yl)-3,5,18,20-tetrazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,30.023,28.031,35.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27,29,31(35),32-heptadecaene
CID 169056698
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)-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
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
17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.026,31.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25(34),26,28,30,32,35(39),36-nonadecaene
CID 169056683

Frequently Asked Questions

What is the IUPAC name of 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene?
The IUPAC name of 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene (CID 169055842) is 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene.
What is the SMILES notation for 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene?
The canonical SMILES for 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc7ccccc7c7c8cc9ccccc9c(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8n(c5ccc4n2c13)c67.
What is the InChIKey of 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene?
The InChIKey is SUMTYFGNKZLDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3/c1-63(2,3)39-25-27-53-46(33-39)47-34-40(64(4,5)6)35-50-59-54(66(53)60(47)50)28-29-55-58(59)49-31-37-17-11-13-21-43(37)57-48-30-36-16-10-12-20-42(36)56(61(48)67(55)62(49)57)38-24-26-52-45(32-38)44-22-14-15-23-51(44)65(52)41-18-8-7-9-19-41/h7-35H,1-6H3.
What are the key properties of 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene?
6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene has a molecular weight of 858.10 g/mol, XLogP of 17.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene is sourced from PubChem (CID 169055842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).