17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine

C223H152N4O3 — CID 158361810

IUPAC17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4c5ccccc5c5c6ccccc6c6ccccc6c5c4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c(cc13)c1ccccc1c1c3ccccc3ccc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c4cc5ccccc5cc4c4ccccc4c2cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c4ccccc4c4c5ccccc5ccc4c2cc13.Cc1cccc(N(c2cccc(C)c2)c2ccc3c4cc5c(cc4n(-c4ccccc4)c3c2)C(C)(C)c2cc3c(cc2-5)c2ccccc2c2ccc4ccccc4c23)c1
InChIInChI=1S/C57H42N2.C55H38N2.3C37H24O/c1-35-14-12-19-39(28-35)58(40-20-13-15-36(2)29-40)41-25-27-45-50-32-49-48-31-47-44-23-11-10-22-43(44)46-26-24-37-16-8-9-21-42(37)56(46)51(47)33-52(48)57(3,4)53(49)34-55(50)59(54(45)30-41)38-17-6-5-7-18-38;1-55(2)48-32-38(56(35-18-6-3-7-19-35)36-20-8-4-9-21-36)30-31-41(48)46-33-47-50(34-49(46)55)57(37-22-10-5-11-23-37)54-52(47)45-29-17-16-28-44(45)51-42-26-14-12-24-39(42)40-25-13-15-27-43(40)53(51)54;1-37(2)32-14-8-7-12-24(32)29-18-31-30-17-27-26-16-15-21-9-3-4-10-22(21)36(26)25-13-6-5-11-23(25)28(27)19-34(30)38-35(31)20-33(29)37;1-37(2)32-14-8-7-12-24(32)29-18-31-30-17-27-23-11-5-6-13-25(23)36-22-10-4-3-9-21(22)15-16-26(36)28(27)19-34(30)38-35(31)20-33(29)37;1-37(2)33-14-8-7-13-25(33)30-18-32-31-17-28-24-12-6-5-11-23(24)26-15-21-9-3-4-10-22(21)16-27(26)29(28)19-35(31)38-36(32)20-34(30)37/h5-34H,1-4H3;3-34H,1-2H3;3*3-20H,1-2H3
InChIKeyGTOHGSGNGVNGRG-UHFFFAOYSA-N
MW2935.69 g/mol
LogP62.48
Rot. Bonds8

About 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine

17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine (PubChem CID 158361810) has the molecular formula C223H152N4O3 and a molecular weight of 2935.69 g/mol. Its IUPAC name is 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine.

Molecular Properties

Compound Name17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine
PubChem CID158361810
Molecular FormulaC223H152N4O3
Molecular Weight2935.69 g/mol
Exact Mass2933.19
IUPAC Name17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4c5ccccc5c5c6ccccc6c6ccccc6c5c4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c(cc13)c1ccccc1c1c3ccccc3ccc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c4cc5ccccc5cc4c4ccccc4c2cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c4ccccc4c4c5ccccc5ccc4c2cc13.Cc1cccc(N(c2cccc(C)c2)c2ccc3c4cc5c(cc4n(-c4ccccc4)c3c2)C(C)(C)c2cc3c(cc2-5)c2ccccc2c2ccc4ccccc4c23)c1
InChIInChI=1S/C57H42N2.C55H38N2.3C37H24O/c1-35-14-12-19-39(28-35)58(40-20-13-15-36(2)29-40)41-25-27-45-50-32-49-48-31-47-44-23-11-10-22-43(44)46-26-24-37-16-8-9-21-42(37)56(46)51(47)33-52(48)57(3,4)53(49)34-55(50)59(54(45)30-41)38-17-6-5-7-18-38;1-55(2)48-32-38(56(35-18-6-3-7-19-35)36-20-8-4-9-21-36)30-31-41(48)46-33-47-50(34-49(46)55)57(37-22-10-5-11-23-37)54-52(47)45-29-17-16-28-44(45)51-42-26-14-12-24-39(42)40-25-13-15-27-43(40)53(51)54;1-37(2)32-14-8-7-12-24(32)29-18-31-30-17-27-26-16-15-21-9-3-4-10-22(21)36(26)25-13-6-5-11-23(25)28(27)19-34(30)38-35(31)20-33(29)37;1-37(2)32-14-8-7-12-24(32)29-18-31-30-17-27-23-11-5-6-13-25(23)36-22-10-4-3-9-21(22)15-16-26(36)28(27)19-34(30)38-35(31)20-33(29)37;1-37(2)33-14-8-7-13-25(33)30-18-32-31-17-28-24-12-6-5-11-23(24)26-15-21-9-3-4-10-22(21)16-27(26)29(28)19-35(31)38-36(32)20-34(30)37/h5-34H,1-4H3;3-34H,1-2H3;3*3-20H,1-2H3
InChIKeyGTOHGSGNGVNGRG-UHFFFAOYSA-N
XLogP62.48
TPSA55.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms230
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002935.69
LogP ≤ 562.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine with MolForge

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Related Compounds

3,3-dimethyl-7-phenyl-7-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.023,28.031,36]hexatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,29,31,33,35-heptadecaene;3,3-dimethyl-7-phenyl-7-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.024,29.031,36]hexatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21(30),22,24,26,28,31,33,35-heptadecaene;7,7-dimethyl-3-phenyl-3-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.023,28.031,36]hexatriaconta-1(20),2(17),4,6(14),8,10,12,15,18,21,23,25,27,29,31,33,35-heptadecaene;7,7-dimethyl-3-phenyl-3-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.024,29.031,36]hexatriaconta-1(20),2(17),4,6(14),8,10,12,15,18,21(30),22,24,26,28,31,33,35-heptadecaene
CID 158951591
N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 159900212
16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene
CID 159122297
N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139551201
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-15-phenyl-N-(4-phenylphenyl)-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18(23),19,21,26-dodecaen-21-amine
CID 163659315
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-diphenyl-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385905
11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050694
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.029,34]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;13,13-dimethyl-17-thianonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene
CID 159853392
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine?
The IUPAC name of 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine (CID 158361810) is 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine.
What is the SMILES notation for 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine?
The canonical SMILES for 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c4c5ccccc5c5c6ccccc6c6ccccc6c5c4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c(cc13)c1ccccc1c1c3ccccc3ccc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c4cc5ccccc5cc4c4ccccc4c2cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1cc2c4ccccc4c4c5ccccc5ccc4c2cc13.Cc1cccc(N(c2cccc(C)c2)c2ccc3c4cc5c(cc4n(-c4ccccc4)c3c2)C(C)(C)c2cc3c(cc2-5)c2ccccc2c2ccc4ccccc4c23)c1.
What is the InChIKey of 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine?
The InChIKey is GTOHGSGNGVNGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2.C55H38N2.3C37H24O/c1-35-14-12-19-39(28-35)58(40-20-13-15-36(2)29-40)41-25-27-45-50-32-49-48-31-47-44-23-11-10-22-43(44)46-26-24-37-16-8-9-21-42(37)56(46)51(47)33-52(48)57(3,4)53(49)34-55(50)59(54(45)30-41)38-17-6-5-7-18-38;1-55(2)48-32-38(56(35-18-6-3-7-19-35)36-20-8-4-9-21-36)30-31-41(48)46-33-47-50(34-49(46)55)57(37-22-10-5-11-23-37)54-52(47)45-29-17-16-28-44(45)51-42-26-14-12-24-39(42)40-25-13-15-27-43(40)53(51)54;1-37(2)32-14-8-7-12-24(32)29-18-31-30-17-27-26-16-15-21-9-3-4-10-22(21)36(26)25-13-6-5-11-23(25)28(27)19-34(30)38-35(31)20-33(29)37;1-37(2)32-14-8-7-12-24(32)29-18-31-30-17-27-23-11-5-6-13-25(23)36-22-10-4-3-9-21(22)15-16-26(36)28(27)19-34(30)38-35(31)20-33(29)37;1-37(2)33-14-8-7-13-25(33)30-18-32-31-17-28-24-12-6-5-11-23(24)26-15-21-9-3-4-10-22(21)16-27(26)29(28)19-35(31)38-36(32)20-34(30)37/h5-34H,1-4H3;3-34H,1-2H3;3*3-20H,1-2H3.
What are the key properties of 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine?
17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine has a molecular weight of 2935.69 g/mol, XLogP of 62.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-N,N-bis(3-methylphenyl)-13-phenyl-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaen-10-amine;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27(36),28,30,32,34-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.023,28.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene;13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.024,29.031,36]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21(30),22,24,26,28,31,33,35-heptadecaene;32,32-dimethyl-N,N,36-triphenyl-36-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.023,35.025,33.026,31]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25(33),26(31),27,29,34-heptadecaen-29-amine is sourced from PubChem (CID 158361810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).