2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C248H163N13O13S12 — CID 158157385

About 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 158157385) has the molecular formula C248H163N13O13S12 and a molecular weight of 3917.91 g/mol. Its IUPAC name is 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 158157385
• Molecular Formula: C248H163N13O13S12
• Molecular Weight: 3917.91 g/mol
• Exact Mass: 3913.91
• IUPAC Name: 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)cnc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(C=C4C(=O)N(c5ccccc5)C(=O)N(c5ccccc5)C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(C=c4c(=O)c5cccc6cccc(c4=O)c65)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)cnc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ncc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3cccnc3)cnc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21
• InChI: InChI=1S/C44H31N3O3S2.C44H28N2O2S2.C41H27NO2S2.2C40H26N2O2S2.C39H25N3O2S2/c1-44(2)36-25-32(45(28-15-7-3-8-16-28)29-17-9-4-10-18-29)23-24-34(36)39-38(44)40-37(52-39)27-33(51-40)26-35-41(48)46(30-19-11-5-12-20-30)43(50)47(42(35)49)31-21-13-6-14-22-31;1-44(2)35-21-29(46(28-15-4-3-5-16-28)36-18-10-14-25-11-8-9-17-31(25)36)24-45-39(35)43-38(44)42-37(50-43)23-30(49-42)22-34-40(47)32-19-26-12-6-7-13-27(26)20-33(32)41(34)48;1-41(2)33-21-27(42(25-13-5-3-6-14-25)26-15-7-4-8-16-26)19-20-29(33)39-36(41)40-34(46-39)23-28(45-40)22-32-37(43)30-17-9-11-24-12-10-18-31(35(24)30)38(32)44;1-40(2)32-19-27(42(25-13-5-3-6-14-25)26-15-7-4-8-16-26)22-41-35(32)39-34(40)38-33(46-39)21-28(45-38)20-31-36(43)29-17-23-11-9-10-12-24(23)18-30(29)37(31)44;1-40(2)32-21-34(42(25-13-5-3-6-14-25)26-15-7-4-8-16-26)41-22-31(32)38-35(40)39-33(46-38)20-27(45-39)19-30-36(43)28-17-23-11-9-10-12-24(23)18-29(28)37(30)44;1-39(2)31-17-26(42(24-11-4-3-5-12-24)25-13-8-14-40-20-25)21-41-34(31)38-33(39)37-32(46-38)19-27(45-37)18-30-35(43)28-15-22-9-6-7-10-23(22)16-29(28)36(30)44/h3-27H,1-2H3;3-24H,1-2H3;3-23H,1-2H3;2*3-22H,1-2H3;3-21H,1-2H3
• InChIKey: FVVXYVKGTOXGCN-UHFFFAOYSA-N
• XLogP: 64.62
• TPSA: 312.28 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3917.91
LogP ≤ 5	64.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', '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-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 158157385) is 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)cnc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(C=C4C(=O)N(c5ccccc5)C(=O)N(c5ccccc5)C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(C=c4c(=O)c5cccc6cccc(c4=O)c65)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)cnc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ncc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3cccnc3)cnc2-c2sc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.

What is the InChIKey of 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is FVVXYVKGTOXGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3O3S2.C44H28N2O2S2.C41H27NO2S2.2C40H26N2O2S2.C39H25N3O2S2/c1-44(2)36-25-32(45(28-15-7-3-8-16-28)29-17-9-4-10-18-29)23-24-34(36)39-38(44)40-37(52-39)27-33(51-40)26-35-41(48)46(30-19-11-5-12-20-30)43(50)47(42(35)49)31-21-13-6-14-22-31;1-44(2)35-21-29(46(28-15-4-3-5-16-28)36-18-10-14-25-11-8-9-17-31(25)36)24-45-39(35)43-38(44)42-37(50-43)23-30(49-42)22-34-40(47)32-19-26-12-6-7-13-27(26)20-33(32)41(34)48;1-41(2)33-21-27(42(25-13-5-3-6-14-25)26-15-7-4-8-16-26)19-20-29(33)39-36(41)40-34(46-39)23-28(45-40)22-32-37(43)30-17-9-11-24-12-10-18-31(35(24)30)38(32)44;1-40(2)32-19-27(42(25-13-5-3-6-14-25)26-15-7-4-8-16-26)22-41-35(32)39-34(40)38-33(46-39)21-28(45-38)20-31-36(43)29-17-23-11-9-10-12-24(23)18-30(29)37(31)44;1-40(2)32-21-34(42(25-13-5-3-6-14-25)26-15-7-4-8-16-26)41-22-31(32)38-35(40)39-33(46-38)20-27(45-39)19-30-36(43)28-17-23-11-9-10-12-24(23)18-29(28)37(30)44;1-39(2)31-17-26(42(24-11-4-3-5-12-24)25-13-8-14-40-20-25)21-41-34(31)38-33(39)37-32(46-38)19-27(45-37)18-30-35(43)28-15-22-9-6-7-10-23(22)16-29(28)36(30)44/h3-27H,1-2H3;3-24H,1-2H3;3-23H,1-2H3;2*3-22H,1-2H3;3-21H,1-2H3.

What are the key properties of 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 3917.91 g/mol, XLogP of 64.62, 26 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithia-4-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione;2-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]phenalene-1,3-dione;2-[[8,8-dimethyl-5-(N-pyridin-3-ylanilino)-11,15-dithia-3-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 158157385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).