2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline

C146H87N9OS3 — CID 157062158

IUPAC2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4cc5sc6ccccc6c5cc34)c2)cc1.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc3cc4sc5ccccc5c4cc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc3cc4oc5ccccc5c4cc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccc6ccccc6c5nc4-c4cccc5cc6sc7ccccc7c6cc45)cc32)cc1
InChIInChI=1S/C46H27N3S.C36H22N2S.C34H20N2S.C30H18N2O/c1-2-13-31(14-3-1)49-40-19-8-6-16-33(40)34-23-21-30(25-41(34)49)44-46(48-45-32-15-5-4-11-28(32)22-24-39(45)47-44)36-18-10-12-29-26-43-38(27-37(29)36)35-17-7-9-20-42(35)50-43;1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-36(38-32-18-6-5-17-31(32)37-35)28-16-9-13-25-21-34-30(22-29(25)28)27-15-4-7-19-33(27)39-34;1-2-10-22(11-3-1)32-34(35-29-18-17-21-9-4-5-13-24(21)33(29)36-32)26-15-8-12-23-19-31-28(20-27(23)26)25-14-6-7-16-30(25)37-31;1-2-9-19(10-3-1)29-30(32-26-15-6-5-14-25(26)31-29)22-13-8-11-20-17-28-24(18-23(20)22)21-12-4-7-16-27(21)33-28/h1-27H;1-22H;1-20H;1-18H
InChIKeyABLLESIWHZIPOE-UHFFFAOYSA-N
MW2079.56 g/mol
LogP40.54
Rot. Bonds10

About 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline

2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline (PubChem CID 157062158) has the molecular formula C146H87N9OS3 and a molecular weight of 2079.56 g/mol. Its IUPAC name is 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline.

Molecular Properties

Compound Name2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline
PubChem CID157062158
Molecular FormulaC146H87N9OS3
Molecular Weight2079.56 g/mol
Exact Mass2077.62
IUPAC Name2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4cc5sc6ccccc6c5cc34)c2)cc1.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc3cc4sc5ccccc5c4cc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc3cc4oc5ccccc5c4cc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccc6ccccc6c5nc4-c4cccc5cc6sc7ccccc7c6cc45)cc32)cc1
InChIInChI=1S/C46H27N3S.C36H22N2S.C34H20N2S.C30H18N2O/c1-2-13-31(14-3-1)49-40-19-8-6-16-33(40)34-23-21-30(25-41(34)49)44-46(48-45-32-15-5-4-11-28(32)22-24-39(45)47-44)36-18-10-12-29-26-43-38(27-37(29)36)35-17-7-9-20-42(35)50-43;1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-36(38-32-18-6-5-17-31(32)37-35)28-16-9-13-25-21-34-30(22-29(25)28)27-15-4-7-19-33(27)39-34;1-2-10-22(11-3-1)32-34(35-29-18-17-21-9-4-5-13-24(21)33(29)36-32)26-15-8-12-23-19-31-28(20-27(23)26)25-14-6-7-16-30(25)37-31;1-2-9-19(10-3-1)29-30(32-26-15-6-5-14-25(26)31-29)22-13-8-11-20-17-28-24(18-23(20)22)21-12-4-7-16-27(21)33-28/h1-27H;1-22H;1-20H;1-18H
InChIKeyABLLESIWHZIPOE-UHFFFAOYSA-N
XLogP40.54
TPSA121.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002079.56
LogP ≤ 540.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline with MolForge

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Related Compounds

3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
CID 157388239
CID 157388239
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
CID 159393370
CID 159393370
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
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-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
CID 161901264
CID 172988659
CID 172988659
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
9-[3-[3-(3-Dibenzofuran-2-ylphenyl)-5-dibenzothiophen-2-ylphenyl]phenyl]carbazole
CID 57544199
9-[8-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 57653808
12-Phenyl-3,8-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 57997487
9-[4-[4-(3-dibenzofuran-2-yl-9H-fluoren-9-yl)phenyl]phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 57997668

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline?
The IUPAC name of 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline (CID 157062158) is 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline.
What is the SMILES notation for 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline?
The canonical SMILES for 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline is c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4cc5sc6ccccc6c5cc34)c2)cc1.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc3cc4sc5ccccc5c4cc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc3cc4oc5ccccc5c4cc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccc6ccccc6c5nc4-c4cccc5cc6sc7ccccc7c6cc45)cc32)cc1.
What is the InChIKey of 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline?
The InChIKey is ABLLESIWHZIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3S.C36H22N2S.C34H20N2S.C30H18N2O/c1-2-13-31(14-3-1)49-40-19-8-6-16-33(40)34-23-21-30(25-41(34)49)44-46(48-45-32-15-5-4-11-28(32)22-24-39(45)47-44)36-18-10-12-29-26-43-38(27-37(29)36)35-17-7-9-20-42(35)50-43;1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-36(38-32-18-6-5-17-31(32)37-35)28-16-9-13-25-21-34-30(22-29(25)28)27-15-4-7-19-33(27)39-34;1-2-10-22(11-3-1)32-34(35-29-18-17-21-9-4-5-13-24(21)33(29)36-32)26-15-8-12-23-19-31-28(20-27(23)26)25-14-6-7-16-30(25)37-31;1-2-9-19(10-3-1)29-30(32-26-15-6-5-14-25(26)31-29)22-13-8-11-20-17-28-24(18-23(20)22)21-12-4-7-16-27(21)33-28/h1-27H;1-22H;1-20H;1-18H.
What are the key properties of 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline?
2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline has a molecular weight of 2079.56 g/mol, XLogP of 40.54, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylquinoxaline;3-naphtho[6,7-b][1]benzothiol-10-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(9-phenylcarbazol-2-yl)benzo[f]quinoxaline;2-naphtho[6,7-b][1]benzothiol-10-yl-3-(3-phenylphenyl)quinoxaline is sourced from PubChem (CID 157062158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).