2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione

C171H120N6O10Se5 — CID 159879751

IUPAC2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione
SMILESCC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2-n2c3ccccc3c3ccnc1c32.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2N2c3ccccc3-c3cccc4ccc1c2c34.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2N2c3ccccc3C(C)(C)c3c2c1cc1ccccc31.CC1(C)c2ccccc2-c2cc3c(cc21)N1c2[se]c(C=C4C(=O)c5ccccc5C4=O)cc2C(C)(C)c2cccc(c21)C3(C)C
InChIInChI=1S/C41H33NO2Se.C36H27NO2Se.2C33H21NO2Se.C28H18N2O2Se/c1-39(2)28-15-10-9-12-23(28)26-20-32-34(21-31(26)39)42-35-29(40(32,3)4)16-11-17-30(35)41(5,6)33-19-22(45-38(33)42)18-27-36(43)24-13-7-8-14-25(24)37(27)44;1-35(2)27-17-20-11-5-6-12-22(20)30-31(27)37(29-16-10-9-15-26(29)36(30,3)4)34-28(35)19-21(40-34)18-25-32(38)23-13-7-8-14-24(23)33(25)39;1-33(2)25-15-14-18-8-7-12-21-20-9-5-6-13-27(20)34(29(25)28(18)21)32-26(33)17-19(37-32)16-24-30(35)22-10-3-4-11-23(22)31(24)36;1-33(2)26-17-19(16-25-30(35)22-12-5-6-13-23(22)31(25)36)37-32(26)34-27-14-8-7-11-21(27)24-15-18-9-3-4-10-20(18)28(33)29(24)34;1-28(2)21-14-15(13-20-24(31)18-8-3-4-9-19(18)25(20)32)33-27(21)30-22-10-6-5-7-16(22)17-11-12-29-26(28)23(17)30/h7-21H,1-6H3;5-19H,1-4H3;2*3-17H,1-2H3;3-14H,1-2H3
InChIKeyNTJNJFVOTWVWNK-UHFFFAOYSA-N
MW2813.67 g/mol
LogP37.25
Rot. Bonds5

About 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione

2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione (PubChem CID 159879751) has the molecular formula C171H120N6O10Se5 and a molecular weight of 2813.67 g/mol. Its IUPAC name is 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione
PubChem CID159879751
Molecular FormulaC171H120N6O10Se5
Molecular Weight2813.67 g/mol
Exact Mass2816.49
IUPAC Name2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione
SMILESCC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2-n2c3ccccc3c3ccnc1c32.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2N2c3ccccc3-c3cccc4ccc1c2c34.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2N2c3ccccc3C(C)(C)c3c2c1cc1ccccc31.CC1(C)c2ccccc2-c2cc3c(cc21)N1c2[se]c(C=C4C(=O)c5ccccc5C4=O)cc2C(C)(C)c2cccc(c21)C3(C)C
InChIInChI=1S/C41H33NO2Se.C36H27NO2Se.2C33H21NO2Se.C28H18N2O2Se/c1-39(2)28-15-10-9-12-23(28)26-20-32-34(21-31(26)39)42-35-29(40(32,3)4)16-11-17-30(35)41(5,6)33-19-22(45-38(33)42)18-27-36(43)24-13-7-8-14-25(24)37(27)44;1-35(2)27-17-20-11-5-6-12-22(20)30-31(27)37(29-16-10-9-15-26(29)36(30,3)4)34-28(35)19-21(40-34)18-25-32(38)23-13-7-8-14-24(23)33(25)39;1-33(2)25-15-14-18-8-7-12-21-20-9-5-6-13-27(20)34(29(25)28(18)21)32-26(33)17-19(37-32)16-24-30(35)22-10-3-4-11-23(22)31(24)36;1-33(2)26-17-19(16-25-30(35)22-12-5-6-13-23(22)31(25)36)37-32(26)34-27-14-8-7-11-21(27)24-15-18-9-3-4-10-20(18)28(33)29(24)34;1-28(2)21-14-15(13-20-24(31)18-8-3-4-9-19(18)25(20)32)33-27(21)30-22-10-6-5-7-16(22)17-11-12-29-26(28)23(17)30/h7-21H,1-6H3;5-19H,1-4H3;2*3-17H,1-2H3;3-14H,1-2H3
InChIKeyNTJNJFVOTWVWNK-UHFFFAOYSA-N
XLogP37.25
TPSA203.17 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002813.67
LogP ≤ 537.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione (CID 159879751) is 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione is CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2-n2c3ccccc3c3cc4ccccc4c1c32.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2-n2c3ccccc3c3ccnc1c32.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2N2c3ccccc3-c3cccc4ccc1c2c34.CC1(C)c2cc(C=C3C(=O)c4ccccc4C3=O)[se]c2N2c3ccccc3C(C)(C)c3c2c1cc1ccccc31.CC1(C)c2ccccc2-c2cc3c(cc21)N1c2[se]c(C=C4C(=O)c5ccccc5C4=O)cc2C(C)(C)c2cccc(c21)C3(C)C.
What is the InChIKey of 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione?
The InChIKey is NTJNJFVOTWVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33NO2Se.C36H27NO2Se.2C33H21NO2Se.C28H18N2O2Se/c1-39(2)28-15-10-9-12-23(28)26-20-32-34(21-31(26)39)42-35-29(40(32,3)4)16-11-17-30(35)41(5,6)33-19-22(45-38(33)42)18-27-36(43)24-13-7-8-14-25(24)37(27)44;1-35(2)27-17-20-11-5-6-12-22(20)30-31(27)37(29-16-10-9-15-26(29)36(30,3)4)34-28(35)19-21(40-34)18-25-32(38)23-13-7-8-14-24(23)33(25)39;1-33(2)25-15-14-18-8-7-12-21-20-9-5-6-13-27(20)34(29(25)28(18)21)32-26(33)17-19(37-32)16-24-30(35)22-10-3-4-11-23(22)31(24)36;1-33(2)26-17-19(16-25-30(35)22-12-5-6-13-23(22)31(25)36)37-32(26)34-27-14-8-7-11-21(27)24-15-18-9-3-4-10-20(18)28(33)29(24)34;1-28(2)21-14-15(13-20-24(31)18-8-3-4-9-19(18)25(20)32)33-27(21)30-22-10-6-5-7-16(22)17-11-12-29-26(28)23(17)30/h7-21H,1-6H3;5-19H,1-4H3;2*3-17H,1-2H3;3-14H,1-2H3.
What are the key properties of 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione?
2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione has a molecular weight of 2813.67 g/mol, XLogP of 37.25, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(14,14-dimethyl-10-selena-8-azahexacyclo[13.7.1.02,7.08,23.09,13.016,21]tricosa-1(22),2,4,6,9(13),11,15(23),16,18,20-decaen-11-yl)methylidene]indene-1,3-dione;2-[(16,16-dimethyl-20-selena-1-azahexacyclo[10.9.2.02,7.08,23.015,22.017,21]tricosa-2,4,6,8,10,12(23),13,15(22),17(21),18-decaen-19-yl)methylidene]indene-1,3-dione;2-[(7,7-dimethyl-3-selena-1,9-diazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),4,8,10,12(19),13,15,17-octaen-4-yl)methylidene]indene-1,3-dione;2-[(5,5,15,15,21,21-hexamethyl-25-selena-1-azaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.022,26]heptacosa-2(14),3,6,8,10,12,16,18,20(27),22(26),23-undecaen-24-yl)methylidene]indene-1,3-dione;2-[(7,7,17,17-tetramethyl-3-selena-1-azahexacyclo[14.7.1.02,6.08,24.010,15.018,23]tetracosa-2(6),4,8,10,12,14,16(24),18,20,22-decaen-4-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 159879751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).