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

C58H51N3 — CID 169057287

IUPAC9,14,33-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c3n5c12
InChIInChI=1S/C58H51N3/c1-56(2,3)35-24-25-49-41(27-35)45-28-36(57(4,5)6)29-46-42-33-51-43(32-50(42)60(49)52(45)46)47-30-37(58(7,8)9)31-48-44-26-34-18-16-17-23-40(34)54(55(44)61(51)53(47)48)59(38-19-12-10-13-20-38)39-21-14-11-15-22-39/h10-33H,1-9H3
InChIKeyDGVTYUTUUMGBCN-UHFFFAOYSA-N
MW790.07 g/mol
LogP16.50
Rot. Bonds3

About 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

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 (PubChem CID 169057287) has the molecular formula C58H51N3 and a molecular weight of 790.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,14,33-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
PubChem CID169057287
Molecular FormulaC58H51N3
Molecular Weight790.07 g/mol
Exact Mass789.41
IUPAC Name9,14,33-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c3n5c12
InChIInChI=1S/C58H51N3/c1-56(2,3)35-24-25-49-41(27-35)45-28-36(57(4,5)6)29-46-42-33-51-43(32-50(42)60(49)52(45)46)47-30-37(58(7,8)9)31-48-44-26-34-18-16-17-23-40(34)54(55(44)61(51)53(47)48)59(38-19-12-10-13-20-38)39-21-14-11-15-22-39/h10-33H,1-9H3
InChIKeyDGVTYUTUUMGBCN-UHFFFAOYSA-N
XLogP16.50
TPSA12.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.07
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
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
N,N-diphenyl-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),3,6,8,10,12(40),13,15,17,21,23,25,27,29,31(39),32,34,36-nonadecaen-22-amine
CID 169056213
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
18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16,18,20(40),22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine
CID 169056295
9,14-ditert-butyl-N,N-diphenyl-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-nonadecaen-7-amine
CID 169056423
14,24,29-tritert-butyl-N,N-bis(4-tert-butylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(2,6-dimethylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 161068341
14,24,29-tritert-butyl-N-phenyl-N-(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 138746118
5,10-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 102489233
9,14,24-tritert-butyl-N,N-diphenyl-3,5,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,26.027,35.028,33.016,36]hexatriaconta-1(34),2(19),3,6(11),7,9,12(36),13,15,17,21(26),22,24,27(35),28,30,32-heptadecaen-7-amine
CID 169055777

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c3n5c12.
What is the InChIKey of 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?
The InChIKey is DGVTYUTUUMGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N3/c1-56(2,3)35-24-25-49-41(27-35)45-28-36(57(4,5)6)29-46-42-33-51-43(32-50(42)60(49)52(45)46)47-30-37(58(7,8)9)31-48-44-26-34-18-16-17-23-40(34)54(55(44)61(51)53(47)48)59(38-19-12-10-13-20-38)39-21-14-11-15-22-39/h10-33H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 790.07 g/mol, XLogP of 16.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169057287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).