6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine

C57H50N4 — CID 169057501

IUPAC6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc(C(C)(C)C)cc7c8cc9ccccc9c(N(c9ccccc9)c9ccccc9)c8n(c5cnc4n2c13)c76
InChIInChI=1S/C57H50N4/c1-55(2,3)34-24-25-46-40(27-34)42-28-35(56(4,5)6)31-45-49-48-44-30-36(57(7,8)9)29-43-41-26-33-18-16-17-23-39(33)52(59(37-19-12-10-13-20-37)38-21-14-11-15-22-38)53(41)60(50(43)44)47(48)32-58-54(49)61(46)51(42)45/h10-32H,1-9H3
InChIKeyOQLJBTZWJVVWNN-UHFFFAOYSA-N
MW791.06 g/mol
LogP15.90
Rot. Bonds3

About 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine

6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine (PubChem CID 169057501) has the molecular formula C57H50N4 and a molecular weight of 791.06 g/mol. Its IUPAC name is 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine.

Molecular Properties

Compound Name6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine
PubChem CID169057501
Molecular FormulaC57H50N4
Molecular Weight791.06 g/mol
Exact Mass790.40
IUPAC Name6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc(C(C)(C)C)cc7c8cc9ccccc9c(N(c9ccccc9)c9ccccc9)c8n(c5cnc4n2c13)c76
InChIInChI=1S/C57H50N4/c1-55(2,3)34-24-25-46-40(27-34)42-28-35(56(4,5)6)31-45-49-48-44-30-36(57(7,8)9)29-43-41-26-33-18-16-17-23-39(33)52(59(37-19-12-10-13-20-37)38-21-14-11-15-22-38)53(41)60(50(43)44)47(48)32-58-54(49)61(46)51(42)45/h10-32H,1-9H3
InChIKeyOQLJBTZWJVVWNN-UHFFFAOYSA-N
XLogP15.90
TPSA24.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.06
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine with MolForge

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Related Compounds

6,11,24,29-tetratert-butyl-N,N-diphenyl-15,17,20-triazanonacyclo[18.10.1.14,8.02,19.03,16.09,14.021,26.027,31.015,32]dotriaconta-1(30),2,4,6,8(32),9(14),10,12,16,18,21(26),22,24,27(31),28-pentadecaen-22-amine
CID 169057001
6,11-ditert-butyl-N,N-diphenyl-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21(30),22,24,26,28,31,33,35,37-nonadecaen-22-amine
CID 169055736
9,14,33-tritert-butyl-N,N-diphenyl-5,20-diazadecacyclo[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-heptadecaen-22-amine
CID 169057287
6,11,24-tritert-butyl-N,N-diphenyl-15,17,20-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-heptadecaen-13-amine
CID 169056478
15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine
CID 169055935
15,37-ditert-butyl-N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine
CID 169056060
9,14,24-tritert-butyl-N,N-diphenyl-5,20-diazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,26.027,35.028,33.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21(26),22,24,27(35),28,30,32-heptadecaen-22-amine
CID 169057542
9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[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-7,22-diamine
CID 169057006
9,14,24-tritert-butyl-N,N-diphenyl-5,20-diazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,26.027,35.029,34.016,36]hexatriaconta-1(35),2(19),3,6(11),7,9,12(36),13,15,17,21(26),22,24,27,29,31,33-heptadecaen-7-amine
CID 169055974
15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[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(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine
CID 169056218
6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine
CID 169056289
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

Frequently Asked Questions

What is the IUPAC name of 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine?
The IUPAC name of 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine (CID 169057501) is 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine.
What is the SMILES notation for 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine?
The canonical SMILES for 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc(C(C)(C)C)cc7c8cc9ccccc9c(N(c9ccccc9)c9ccccc9)c8n(c5cnc4n2c13)c76.
What is the InChIKey of 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine?
The InChIKey is OQLJBTZWJVVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N4/c1-55(2,3)34-24-25-46-40(27-34)42-28-35(56(4,5)6)31-45-49-48-44-30-36(57(7,8)9)29-43-41-26-33-18-16-17-23-39(33)52(59(37-19-12-10-13-20-37)38-21-14-11-15-22-38)53(41)60(50(43)44)47(48)32-58-54(49)61(46)51(42)45/h10-32H,1-9H3.
What are the key properties of 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine?
6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine has a molecular weight of 791.06 g/mol, XLogP of 15.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11,33-tritert-butyl-N,N-diphenyl-15,17,20-triazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.023,28.031,35.015,36]hexatriaconta-1(34),2,4,6,8(36),9(14),10,12,16,18,21,23,25,27,29,31(35),32-heptadecaen-22-amine is sourced from PubChem (CID 169057501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).