2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione

C230H152N12O16S2Se2Te2 — CID 160734188

IUPAC2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=CC2=CC=C(N3CC4=C(C3)c3cc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3CC4=C(C3)c3nc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21
InChIInChI=1S/C30H21NO2.C29H20N2O2.C29H19NO2S.C29H19NO2Se.C29H19NO2Te.C28H18N2O2S.C28H18N2O2Se.C28H18N2O2Te/c32-29-24-7-3-4-8-25(24)30(33)27(29)12-18-9-10-23(11-18)31-16-22-14-21-13-19-5-1-2-6-20(19)15-26(21)28(22)17-31;32-28-22-6-2-3-7-23(22)29(33)24(28)12-17-9-10-21(11-17)31-15-20-14-19-13-18-5-1-4-8-26(18)30-27(19)25(20)16-31;3*31-28-21-7-3-4-8-22(21)29(32)24(28)12-17-9-10-20(11-17)30-15-25-23-13-18-5-1-2-6-19(18)14-26(23)33-27(25)16-30;3*31-27-19-6-2-3-7-20(19)28(32)21(27)12-16-9-10-18(11-16)30-14-22-25(15-30)33-24-13-17-5-1-4-8-23(17)29-26(22)24/h1-10,12-13,15H,11,14,16-17H2;1-10,12-13H,11,14-16H2;3*1-10,12-14H,11,15-16H2;3*1-10,12-13H,11,14-15H2
InChIKeyRUSQTIVEHQEDDI-UHFFFAOYSA-N
MW3817.07 g/mol
LogP44.47
Rot. Bonds16

About 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione

2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione (PubChem CID 160734188) has the molecular formula C230H152N12O16S2Se2Te2 and a molecular weight of 3817.07 g/mol. Its IUPAC name is 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione
PubChem CID160734188
Molecular FormulaC230H152N12O16S2Se2Te2
Molecular Weight3817.07 g/mol
Exact Mass3820.73
IUPAC Name2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=CC2=CC=C(N3CC4=C(C3)c3cc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3CC4=C(C3)c3nc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21
InChIInChI=1S/C30H21NO2.C29H20N2O2.C29H19NO2S.C29H19NO2Se.C29H19NO2Te.C28H18N2O2S.C28H18N2O2Se.C28H18N2O2Te/c32-29-24-7-3-4-8-25(24)30(33)27(29)12-18-9-10-23(11-18)31-16-22-14-21-13-19-5-1-2-6-20(19)15-26(21)28(22)17-31;32-28-22-6-2-3-7-23(22)29(33)24(28)12-17-9-10-21(11-17)31-15-20-14-19-13-18-5-1-4-8-26(18)30-27(19)25(20)16-31;3*31-28-21-7-3-4-8-22(21)29(32)24(28)12-17-9-10-20(11-17)30-15-25-23-13-18-5-1-2-6-19(18)14-26(23)33-27(25)16-30;3*31-27-19-6-2-3-7-20(19)28(32)21(27)12-16-9-10-18(11-16)30-14-22-25(15-30)33-24-13-17-5-1-4-8-23(17)29-26(22)24/h1-10,12-13,15H,11,14,16-17H2;1-10,12-13H,11,14-16H2;3*1-10,12-14H,11,15-16H2;3*1-10,12-13H,11,14-15H2
InChIKeyRUSQTIVEHQEDDI-UHFFFAOYSA-N
XLogP44.47
TPSA350.60 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003817.07
LogP ≤ 544.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione with MolForge

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What is the IUPAC name of 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione (CID 160734188) is 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione is O=C1C(=CC2=CC=C(N3CC4=C(C3)c3cc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3CC4=C(C3)c3nc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6nc5c4C3)C2)C(=O)c2ccccc21.
What is the InChIKey of 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione?
The InChIKey is RUSQTIVEHQEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2.C29H20N2O2.C29H19NO2S.C29H19NO2Se.C29H19NO2Te.C28H18N2O2S.C28H18N2O2Se.C28H18N2O2Te/c32-29-24-7-3-4-8-25(24)30(33)27(29)12-18-9-10-23(11-18)31-16-22-14-21-13-19-5-1-2-6-20(19)15-26(21)28(22)17-31;32-28-22-6-2-3-7-23(22)29(33)24(28)12-17-9-10-21(11-17)31-15-20-14-19-13-18-5-1-4-8-26(18)30-27(19)25(20)16-31;3*31-28-21-7-3-4-8-22(21)29(32)24(28)12-17-9-10-20(11-17)30-15-25-23-13-18-5-1-2-6-19(18)14-26(23)33-27(25)16-30;3*31-27-19-6-2-3-7-20(19)28(32)21(27)12-16-9-10-18(11-16)30-14-22-25(15-30)33-24-13-17-5-1-4-8-23(17)29-26(22)24/h1-10,12-13,15H,11,14,16-17H2;1-10,12-13H,11,14-16H2;3*1-10,12-14H,11,15-16H2;3*1-10,12-13H,11,14-15H2.
What are the key properties of 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione?
2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione has a molecular weight of 3817.07 g/mol, XLogP of 44.47, 16 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-selena-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-tellura-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-13-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(16-thia-9,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-13-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 160734188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).