3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine

C156H90N6O3S3 — CID 158418256

IUPAC3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c4ccccc4c4nc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cnc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ncc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ncc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H30N2O2.C52H30N2OS.C52H30N2S2/c1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)50-49(42)53-30-46(54-50)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44;1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)49-50(42)54-46(30-53-49)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44;1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)50-49(42)53-30-46(54-50)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44/h3*1-30H
InChIKeyHAECFANCFLSMHC-UHFFFAOYSA-N
MW2192.68 g/mol
LogP44.61
Rot. Bonds12

About 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine

3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 158418256) has the molecular formula C156H90N6O3S3 and a molecular weight of 2192.68 g/mol. Its IUPAC name is 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID158418256
Molecular FormulaC156H90N6O3S3
Molecular Weight2192.68 g/mol
Exact Mass2190.62
IUPAC Name3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c4ccccc4c4nc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cnc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ncc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ncc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H30N2O2.C52H30N2OS.C52H30N2S2/c1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)50-49(42)53-30-46(54-50)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44;1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)49-50(42)54-46(30-53-49)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44;1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)50-49(42)53-30-46(54-50)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44/h3*1-30H
InChIKeyHAECFANCFLSMHC-UHFFFAOYSA-N
XLogP44.61
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002192.68
LogP ≤ 544.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
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
1-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;1-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-1-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-1-yl)phosphoryl]dibenzothiophene;2-[1,10-phenanthrolin-2-yl(triphenylen-1-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-1-ylphosphoryl]carbazole;2-pyridin-2-yl-6-[(2-pyridin-2-yl-4-pyridinyl)-triphenylen-1-ylphosphoryl]pyridine;2-[pyridin-2-yl(triphenylen-1-yl)phosphoryl]pyridine
CID 157288269
2-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;2-bis(4-fluorophenyl)phosphoryltriphenylene;2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-2-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-2-yl)phosphoryl]dibenzothiophene;diphenyl-sulfanylidene-triphenylen-2-yl-lambda5-phosphane;2-[1,10-phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-2-ylphosphoryl]carbazole
CID 157683743
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-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline
CID 161762838
7,10-Bis[3-[3-(6-fluorodibenzofuran-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 168745263
2-[5-[3,5-bis[5-[4-methoxy-2-(quinolin-8-ylcarbamoyl)phenyl]thiophen-2-yl]phenyl]thiophen-2-yl]-5-methoxy-N-quinolin-8-ylbenzamide
CID 176434425
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
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

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine (CID 158418256) is 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3c4ccccc4c4nc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cnc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ncc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c4ccccc4c4ncc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is HAECFANCFLSMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O2.C52H30N2OS.C52H30N2S2/c1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)50-49(42)53-30-46(54-50)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44;1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)49-50(42)54-46(30-53-49)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44;1-2-18-42-38(15-1)39-26-25-32(31-11-7-12-33(27-31)36-19-9-21-43-40-16-3-5-23-47(40)55-51(36)43)29-45(39)50-49(42)53-30-46(54-50)35-14-8-13-34(28-35)37-20-10-22-44-41-17-4-6-24-48(41)56-52(37)44/h3*1-30H.
What are the key properties of 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 2192.68 g/mol, XLogP of 44.61, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3,6-bis(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;11-(3-dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158418256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).