2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C201H121F4N7O13S7 — CID 158321400

IUPAC2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2nc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc21.O=C1C(=Cc2cc3c(s2)C(F)(F)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C(F)(F)c2sccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C2(CCCC2)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)c(=O)c2ccccc2n3-c2ccccc2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C43H25NO2S.C35H25NO2S.C32H22N2O2S.C31H17F2NO2S.C31H17NO3S.C29H15F2NO2S2/c45-40-32-22-26-12-4-5-13-27(26)23-33(32)41(46)34(40)24-29-25-39-42(47-29)43(35-18-8-6-16-30(35)31-17-7-9-19-36(31)43)37-20-10-11-21-38(37)44(39)28-14-2-1-3-15-28;37-32-26-18-22-10-4-5-11-23(22)19-27(26)33(38)28(32)20-25-21-31-34(39-25)35(16-8-9-17-35)29-14-6-7-15-30(29)36(31)24-12-2-1-3-13-24;1-32(2)25-14-8-9-15-26(25)34(21-12-4-3-5-13-21)31-30(32)37-27(33-31)18-24-28(35)22-16-19-10-6-7-11-20(19)17-23(22)29(24)36;32-31(33)25-12-6-7-13-26(25)34(20-10-2-1-3-11-20)27-17-21(37-30(27)31)16-24-28(35)22-14-18-8-4-5-9-19(18)15-23(22)29(24)36;33-28-23-14-18-8-4-5-9-19(18)15-24(23)29(34)25(28)16-21-17-27-31(36-21)30(35)22-12-6-7-13-26(22)32(27)20-10-2-1-3-11-20;30-29(31)27-23(10-11-35-27)32(18-8-2-1-3-9-18)24-15-19(36-28(24)29)14-22-25(33)20-12-16-6-4-5-7-17(16)13-21(20)26(22)34/h1-25H;1-7,10-15,18-21H,8-9,16-17H2;3-18H,1-2H3;1-17H;1-17H;1-15H
InChIKeyGOWXGBZRVYBUMS-UHFFFAOYSA-N
MW3142.68 g/mol
LogP50.84
Rot. Bonds12

About 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 158321400) has the molecular formula C201H121F4N7O13S7 and a molecular weight of 3142.68 g/mol. Its IUPAC name is 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID158321400
Molecular FormulaC201H121F4N7O13S7
Molecular Weight3142.68 g/mol
Exact Mass3139.70
IUPAC Name2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2nc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc21.O=C1C(=Cc2cc3c(s2)C(F)(F)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C(F)(F)c2sccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C2(CCCC2)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)c(=O)c2ccccc2n3-c2ccccc2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C43H25NO2S.C35H25NO2S.C32H22N2O2S.C31H17F2NO2S.C31H17NO3S.C29H15F2NO2S2/c45-40-32-22-26-12-4-5-13-27(26)23-33(32)41(46)34(40)24-29-25-39-42(47-29)43(35-18-8-6-16-30(35)31-17-7-9-19-36(31)43)37-20-10-11-21-38(37)44(39)28-14-2-1-3-15-28;37-32-26-18-22-10-4-5-11-23(22)19-27(26)33(38)28(32)20-25-21-31-34(39-25)35(16-8-9-17-35)29-14-6-7-15-30(29)36(31)24-12-2-1-3-13-24;1-32(2)25-14-8-9-15-26(25)34(21-12-4-3-5-13-21)31-30(32)37-27(33-31)18-24-28(35)22-16-19-10-6-7-11-20(19)17-23(22)29(24)36;32-31(33)25-12-6-7-13-26(25)34(20-10-2-1-3-11-20)27-17-21(37-30(27)31)16-24-28(35)22-14-18-8-4-5-9-19(18)15-23(22)29(24)36;33-28-23-14-18-8-4-5-9-19(18)15-24(23)29(34)25(28)16-21-17-27-31(36-21)30(35)22-12-6-7-13-26(22)32(27)20-10-2-1-3-11-20;30-29(31)27-23(10-11-35-27)32(18-8-2-1-3-9-18)24-15-19(36-28(24)29)14-22-25(33)20-12-16-6-4-5-7-17(16)13-21(20)26(22)34/h1-25H;1-7,10-15,18-21H,8-9,16-17H2;3-18H,1-2H3;1-17H;1-17H;1-15H
InChIKeyGOWXGBZRVYBUMS-UHFFFAOYSA-N
XLogP50.84
TPSA255.93 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003142.68
LogP ≤ 550.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4,4-Dimethyl-9-(2-phenylphenyl)-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-9-pyren-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[9-(3-hexylthiophen-2-yl)-4,4-dimethyl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-isocyano-2,6-dimethylphenyl)-4,4-dimethyl-9-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione
CID 160369729
2-[[5-(5,5-Dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione
CID 157137616

Frequently Asked Questions

What is the IUPAC name of 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 158321400) is 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is CC1(C)c2ccccc2N(c2ccccc2)c2nc(C=C3C(=O)c4cc5ccccc5cc4C3=O)sc21.O=C1C(=Cc2cc3c(s2)C(F)(F)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C(F)(F)c2sccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C2(CCCC2)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2ccccc2N3c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3c(s2)c(=O)c2ccccc2n3-c2ccccc2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is GOWXGBZRVYBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2S.C35H25NO2S.C32H22N2O2S.C31H17F2NO2S.C31H17NO3S.C29H15F2NO2S2/c45-40-32-22-26-12-4-5-13-27(26)23-33(32)41(46)34(40)24-29-25-39-42(47-29)43(35-18-8-6-16-30(35)31-17-7-9-19-36(31)43)37-20-10-11-21-38(37)44(39)28-14-2-1-3-15-28;37-32-26-18-22-10-4-5-11-23(22)19-27(26)33(38)28(32)20-25-21-31-34(39-25)35(16-8-9-17-35)29-14-6-7-15-30(29)36(31)24-12-2-1-3-13-24;1-32(2)25-14-8-9-15-26(25)34(21-12-4-3-5-13-21)31-30(32)37-27(33-31)18-24-28(35)22-16-19-10-6-7-11-20(19)17-23(22)29(24)36;32-31(33)25-12-6-7-13-26(25)34(20-10-2-1-3-11-20)27-17-21(37-30(27)31)16-24-28(35)22-14-18-8-4-5-9-19(18)15-23(22)29(24)36;33-28-23-14-18-8-4-5-9-19(18)15-24(23)29(34)25(28)16-21-17-27-31(36-21)30(35)22-12-6-7-13-26(22)32(27)20-10-2-1-3-11-20;30-29(31)27-23(10-11-35-27)32(18-8-2-1-3-9-18)24-15-19(36-28(24)29)14-22-25(33)20-12-16-6-4-5-7-17(16)13-21(20)26(22)34/h1-25H;1-7,10-15,18-21H,8-9,16-17H2;3-18H,1-2H3;1-17H;1-17H;1-15H.
What are the key properties of 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 3142.68 g/mol, XLogP of 50.84, 12 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,8-difluoro-2-phenyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-difluoro-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9,9-dimethyl-4-phenyl-[1,3]thiazolo[4,5-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(9-oxo-4-phenylthieno[3,2-b]quinolin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[cyclopentane-1,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4'-phenylspiro[fluorene-9,9'-thieno[3,2-b]quinoline]-2'-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 158321400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).