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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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

C223H146N12O16S3Se3Te3 — CID 158460769

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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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-(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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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 (PubChem CID 158460769) has the molecular formula C223H146N12O16S3Se3Te3 and a molecular weight of 3965.57 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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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.

Molecular Properties

• Compound Name: 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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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
• PubChem CID: 158460769
• Molecular Formula: C223H146N12O16S3Se3Te3
• Molecular Weight: 3965.57 g/mol
• Exact Mass: 3972.48
• IUPAC Name: 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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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
• SMILES: O=C1C(=CC2=CC=C(N3CC4=C(C3)c3cc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3CC4=C(C3)c3ncc5c(c3C4)C=CC5)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5c(ncc6[se]ccc65)c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5c(ncc6[te]ccc65)c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5c(ncc6sccc65)c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21
• InChI: InChI=1S/C30H21NO2.C29H19NO2S.C29H19NO2Se.C29H19NO2Te.C28H20N2O2.C26H16N2O2S2.C26H16N2O2Se2.C26H16N2O2Te2/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;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;31-27-21-5-1-2-6-22(21)28(32)24(27)11-16-8-9-19(10-16)30-14-18-12-23-20-7-3-4-17(20)13-29-26(23)25(18)15-30;3*29-24-16-3-1-2-4-17(16)25(30)19(24)10-14-5-6-15(9-14)28-12-20-22(13-28)32-26-18-7-8-31-21(18)11-27-23(20)26/h1-10,12-13,15H,11,14,16-17H2;3*1-10,12-14H,11,15-16H2;1-3,5-9,11,13H,4,10,12,14-15H2;3*1-8,10-11H,9,12-13H2
• InChIKey: HFDIPKWQQDJBRF-UHFFFAOYSA-N
• XLogP: 42.06
• TPSA: 350.60 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3965.57
LogP ≤ 5	42.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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'}

Frequently Asked Questions

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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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?

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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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 (CID 158460769) 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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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.

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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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?

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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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 is O=C1C(=CC2=CC=C(N3CC4=C(C3)c3cc5ccccc5cc3C4)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3CC4=C(C3)c3ncc5c(c3C4)C=CC5)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5c(ncc6[se]ccc65)c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[se]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5c(ncc6[te]ccc65)c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4[te]c5cc6ccccc6cc5c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5c(ncc6sccc65)c4C3)C2)C(=O)c2ccccc21.O=C1C(=CC2=CC=C(N3Cc4sc5cc6ccccc6cc5c4C3)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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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?

The InChIKey is HFDIPKWQQDJBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2.C29H19NO2S.C29H19NO2Se.C29H19NO2Te.C28H20N2O2.C26H16N2O2S2.C26H16N2O2Se2.C26H16N2O2Te2/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;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;31-27-21-5-1-2-6-22(21)28(32)24(27)11-16-8-9-19(10-16)30-14-18-12-23-20-7-3-4-17(20)13-29-26(23)25(18)15-30;3*29-24-16-3-1-2-4-17(16)25(30)19(24)10-14-5-6-15(9-14)28-12-20-22(13-28)32-26-18-7-8-31-21(18)11-27-23(20)26/h1-10,12-13,15H,11,14,16-17H2;3*1-10,12-14H,11,15-16H2;1-3,5-9,11,13H,4,10,12,14-15H2;3*1-8,10-11H,9,12-13H2.

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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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-(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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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 has a molecular weight of 3965.57 g/mol, XLogP of 42.06, 16 rotatable bonds, 0 hydrogen bond donors, and 31 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-(8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-diselena-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-ditellura-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-yl)cyclopenta-1,3-dien-1-yl]methylidene]indene-1,3-dione;2-[[4-(5,15-dithia-8,12-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1,3,6,8,10(14)-pentaen-12-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-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-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 is sourced from PubChem (CID 158460769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).