2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine

C108H60N4O2S4 — CID 157057393

IUPAC2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc4c3c2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1.c1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c5)nc4c3c2)cc(-c2cccc3c2sc2ccc4ccccc4c23)c1
InChIInChI=1S/C54H30N2O2S.C54H30N2S3/c1-3-15-38-31(9-1)21-24-44-42-19-7-17-40(52(42)57-50(38)44)35-12-5-11-33(27-35)34-23-26-48-46(29-34)49-54(59-48)55-30-47(56-49)37-14-6-13-36(28-37)41-18-8-20-43-45-25-22-32-10-2-4-16-39(32)51(45)58-53(41)43;1-3-15-38-31(9-1)21-25-47-49(38)42-19-7-17-40(52(42)57-47)35-12-5-11-33(27-35)34-23-24-46-44(29-34)51-54(59-46)55-30-45(56-51)37-14-6-13-36(28-37)41-18-8-20-43-50-39-16-4-2-10-32(39)22-26-48(50)58-53(41)43/h2*1-30H
InChIKeyAAXNQUOZVMUJHI-UHFFFAOYSA-N
MW1573.96 g/mol
LogP32.17
Rot. Bonds8

About 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine

2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 157057393) has the molecular formula C108H60N4O2S4 and a molecular weight of 1573.96 g/mol. Its IUPAC name is 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
PubChem CID157057393
Molecular FormulaC108H60N4O2S4
Molecular Weight1573.96 g/mol
Exact Mass1572.36
IUPAC Name2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc4c3c2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1.c1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c5)nc4c3c2)cc(-c2cccc3c2sc2ccc4ccccc4c23)c1
InChIInChI=1S/C54H30N2O2S.C54H30N2S3/c1-3-15-38-31(9-1)21-24-44-42-19-7-17-40(52(42)57-50(38)44)35-12-5-11-33(27-35)34-23-26-48-46(29-34)49-54(59-48)55-30-47(56-49)37-14-6-13-36(28-37)41-18-8-20-43-45-25-22-32-10-2-4-16-39(32)51(45)58-53(41)43;1-3-15-38-31(9-1)21-25-47-49(38)42-19-7-17-40(52(42)57-47)35-12-5-11-33(27-35)34-23-24-46-44(29-34)51-54(59-46)55-30-45(56-51)37-14-6-13-36(28-37)41-18-8-20-43-50-39-16-4-2-10-32(39)22-26-48(50)58-53(41)43/h2*1-30H
InChIKeyAAXNQUOZVMUJHI-UHFFFAOYSA-N
XLogP32.17
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001573.96
LogP ≤ 532.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine with MolForge

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Related Compounds

20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
6-(3-Tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
CID 161324597
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927
2-Tert-butyl-15-[6-(3,3,3-trifluoro-2,2-dimethylpropyl)-1-benzofuran-2-yl]-17-thia-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168721180
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
2-[2-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]phenyl]pyridine
CID 57958225
4-[6-[6-[12-(2-Pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 57958294
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
2-[8-[8-(8-Pyrazin-2-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]pyrazine
CID 58501540
8-[3-[8-[4,6-Dimethyl-8-[3-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-4,6-dimethyldibenzothiophen-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58501587
2-[2-[8-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 58501591

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine (CID 157057393) is 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine is c1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc4c3c2)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1.c1cc(-c2ccc3sc4ncc(-c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c5)nc4c3c2)cc(-c2cccc3c2sc2ccc4ccccc4c23)c1.
What is the InChIKey of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is AAXNQUOZVMUJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N2O2S.C54H30N2S3/c1-3-15-38-31(9-1)21-24-44-42-19-7-17-40(52(42)57-50(38)44)35-12-5-11-33(27-35)34-23-26-48-46(29-34)49-54(59-48)55-30-47(56-49)37-14-6-13-36(28-37)41-18-8-20-43-45-25-22-32-10-2-4-16-39(32)51(45)58-53(41)43;1-3-15-38-31(9-1)21-25-47-49(38)42-19-7-17-40(52(42)57-47)35-12-5-11-33(27-35)34-23-24-46-44(29-34)51-54(59-46)55-30-45(56-51)37-14-6-13-36(28-37)41-18-8-20-43-50-39-16-4-2-10-32(39)22-26-48(50)58-53(41)43/h2*1-30H.
What are the key properties of 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 1573.96 g/mol, XLogP of 32.17, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2,8-bis(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 157057393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).