2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline

C181H108N10O2S4 — CID 159213259

IUPAC2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
SMILESCC1(C)c2ccccc2-c2cc(-c3nc4c(ccc5ccccc54)nc3-c3cccc4cc5oc6ccccc6c5cc34)ccc21.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc3c2ccc2sc4ccccc4c23)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2cccc3c2ccc2sc4ccccc4c23)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2cccc3cc4oc5ccccc5c4cc23)cc1.c1ccc2nc(-c3cccc4sc5ccccc5c34)c(-c3cccc4c3ccc3sc5ccccc5c34)nc2c1
InChIInChI=1S/C43H28N2O.C36H20N2S2.C34H20N2O.2C34H20N2S/c1-43(2)35-16-7-5-13-29(35)33-22-27(18-20-36(33)43)40-42(44-37-21-19-25-10-3-4-12-28(25)41(37)45-40)31-15-9-11-26-23-39-34(24-32(26)31)30-14-6-8-17-38(30)46-39;1-5-16-29-24(9-1)33-22-11-7-12-23(21(22)19-20-32(33)40-29)35-36(38-28-15-4-3-14-27(28)37-35)26-13-8-18-31-34(26)25-10-2-6-17-30(25)39-31;1-2-10-22(11-3-1)32-34(36-33-24-13-5-4-9-21(24)17-18-29(33)35-32)26-15-8-12-23-19-31-28(20-27(23)26)25-14-6-7-16-30(25)37-31;1-2-10-22(11-3-1)32-34(35-28-19-17-21-9-4-5-12-23(21)33(28)36-32)26-15-8-14-25-24(26)18-20-30-31(25)27-13-6-7-16-29(27)37-30;1-2-10-22(11-3-1)32-34(36-33-23-12-5-4-9-21(23)17-19-28(33)35-32)26-15-8-14-25-24(26)18-20-30-31(25)27-13-6-7-16-29(27)37-30/h3-24H,1-2H3;1-20H;3*1-20H
InChIKeyKQTJXUUETNCNFI-UHFFFAOYSA-N
MW2583.19 g/mol
LogP50.77
Rot. Bonds10

About 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline

2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline (PubChem CID 159213259) has the molecular formula C181H108N10O2S4 and a molecular weight of 2583.19 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
PubChem CID159213259
Molecular FormulaC181H108N10O2S4
Molecular Weight2583.19 g/mol
Exact Mass2580.75
IUPAC Name2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
SMILESCC1(C)c2ccccc2-c2cc(-c3nc4c(ccc5ccccc54)nc3-c3cccc4cc5oc6ccccc6c5cc34)ccc21.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc3c2ccc2sc4ccccc4c23)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2cccc3c2ccc2sc4ccccc4c23)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2cccc3cc4oc5ccccc5c4cc23)cc1.c1ccc2nc(-c3cccc4sc5ccccc5c34)c(-c3cccc4c3ccc3sc5ccccc5c34)nc2c1
InChIInChI=1S/C43H28N2O.C36H20N2S2.C34H20N2O.2C34H20N2S/c1-43(2)35-16-7-5-13-29(35)33-22-27(18-20-36(33)43)40-42(44-37-21-19-25-10-3-4-12-28(25)41(37)45-40)31-15-9-11-26-23-39-34(24-32(26)31)30-14-6-8-17-38(30)46-39;1-5-16-29-24(9-1)33-22-11-7-12-23(21(22)19-20-32(33)40-29)35-36(38-28-15-4-3-14-27(28)37-35)26-13-8-18-31-34(26)25-10-2-6-17-30(25)39-31;1-2-10-22(11-3-1)32-34(36-33-24-13-5-4-9-21(24)17-18-29(33)35-32)26-15-8-12-23-19-31-28(20-27(23)26)25-14-6-7-16-30(25)37-31;1-2-10-22(11-3-1)32-34(35-28-19-17-21-9-4-5-12-23(21)33(28)36-32)26-15-8-14-25-24(26)18-20-30-31(25)27-13-6-7-16-29(27)37-30;1-2-10-22(11-3-1)32-34(36-33-23-12-5-4-9-21(23)17-19-28(33)35-32)26-15-8-14-25-24(26)18-20-30-31(25)27-13-6-7-16-29(27)37-30/h3-24H,1-2H3;1-20H;3*1-20H
InChIKeyKQTJXUUETNCNFI-UHFFFAOYSA-N
XLogP50.77
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002583.19
LogP ≤ 550.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline with MolForge

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Related Compounds

2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
CID 158271079
6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159380572
3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline
CID 162229273
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)-1,3,5-triazine;2-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-4-(3-phenylphenyl)quinazoline
CID 165037335
3-phenyl-2-(22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)benzo[f]quinoxaline
CID 164721432
2-dibenzofuran-1-yl-3-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)quinoxaline;2-naphthalen-2-yl-3-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinoxaline;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-3-phenylbenzo[f]quinoxaline;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-3-phenylquinoxaline;2-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-3-phenylquinoxaline
CID 158311838
2-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzothiophen-1-yl-3-(4-phenylphenyl)quinoxaline
CID 165060519
2-dibenzofuran-3-yl-3-(22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)quinoxaline
CID 163798485
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271
3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline
CID 155465499
2-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-3-phenylbenzo[f]quinoxaline
CID 164721653
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylphenyl)quinoxaline
CID 158835789

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline?
The IUPAC name of 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline (CID 159213259) is 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline.
What is the SMILES notation for 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline?
The canonical SMILES for 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline is CC1(C)c2ccccc2-c2cc(-c3nc4c(ccc5ccccc54)nc3-c3cccc4cc5oc6ccccc6c5cc34)ccc21.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc3c2ccc2sc4ccccc4c23)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2cccc3c2ccc2sc4ccccc4c23)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2cccc3cc4oc5ccccc5c4cc23)cc1.c1ccc2nc(-c3cccc4sc5ccccc5c34)c(-c3cccc4c3ccc3sc5ccccc5c34)nc2c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline?
The InChIKey is KQTJXUUETNCNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O.C36H20N2S2.C34H20N2O.2C34H20N2S/c1-43(2)35-16-7-5-13-29(35)33-22-27(18-20-36(33)43)40-42(44-37-21-19-25-10-3-4-12-28(25)41(37)45-40)31-15-9-11-26-23-39-34(24-32(26)31)30-14-6-8-17-38(30)46-39;1-5-16-29-24(9-1)33-22-11-7-12-23(21(22)19-20-32(33)40-29)35-36(38-28-15-4-3-14-27(28)37-35)26-13-8-18-31-34(26)25-10-2-6-17-30(25)39-31;1-2-10-22(11-3-1)32-34(36-33-24-13-5-4-9-21(24)17-18-29(33)35-32)26-15-8-12-23-19-31-28(20-27(23)26)25-14-6-7-16-30(25)37-31;1-2-10-22(11-3-1)32-34(35-28-19-17-21-9-4-5-12-23(21)33(28)36-32)26-15-8-14-25-24(26)18-20-30-31(25)27-13-6-7-16-29(27)37-30;1-2-10-22(11-3-1)32-34(36-33-23-12-5-4-9-21(23)17-19-28(33)35-32)26-15-8-14-25-24(26)18-20-30-31(25)27-13-6-7-16-29(27)37-30/h3-24H,1-2H3;1-20H;3*1-20H.
What are the key properties of 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline?
2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline has a molecular weight of 2583.19 g/mol, XLogP of 50.77, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 159213259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).