3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C136H82N6OS2 — CID 157487259

IUPAC3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cccc(-c3cccc4c3oc3ccc5ccccc5c34)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1ccc(-c2ccc3sc4c(-c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)cc3)cccc12
InChIInChI=1S/C52H32N2S.C44H26N2O.C40H24N2S/c1-3-13-33(14-4-1)37-25-26-49-46(29-37)47-31-40(34-15-5-2-6-16-34)30-45(52(47)55-49)38-19-11-17-35(27-38)36-18-12-20-39(28-36)48-32-53-50-43-23-9-7-21-41(43)42-22-8-10-24-44(42)51(50)54-48;1-2-15-32-27(10-1)22-23-40-41(32)38-21-9-20-33(44(38)47-40)30-13-7-11-28(24-30)29-12-8-14-31(25-29)39-26-45-42-36-18-5-3-16-34(36)35-17-4-6-19-37(35)43(42)46-39;1-3-11-33-30(8-1)31-9-2-4-12-34(31)39-38(33)41-24-36(42-39)28-22-18-26(19-23-28)25-16-20-27(21-17-25)29-13-7-14-35-32-10-5-6-15-37(32)43-40(29)35/h1-32H;1-26H;1-24H
InChIKeyBWVZWPWEZMVAPN-UHFFFAOYSA-N
MW1880.33 g/mol
LogP37.93
Rot. Bonds11

About 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 157487259) has the molecular formula C136H82N6OS2 and a molecular weight of 1880.33 g/mol. Its IUPAC name is 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID157487259
Molecular FormulaC136H82N6OS2
Molecular Weight1880.33 g/mol
Exact Mass1878.60
IUPAC Name3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cccc(-c3cccc4c3oc3ccc5ccccc5c34)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1ccc(-c2ccc3sc4c(-c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)cc3)cccc12
InChIInChI=1S/C52H32N2S.C44H26N2O.C40H24N2S/c1-3-13-33(14-4-1)37-25-26-49-46(29-37)47-31-40(34-15-5-2-6-16-34)30-45(52(47)55-49)38-19-11-17-35(27-38)36-18-12-20-39(28-36)48-32-53-50-43-23-9-7-21-41(43)42-22-8-10-24-44(42)51(50)54-48;1-2-15-32-27(10-1)22-23-40-41(32)38-21-9-20-33(44(38)47-40)30-13-7-11-28(24-30)29-12-8-14-31(25-29)39-26-45-42-36-18-5-3-16-34(36)35-17-4-6-19-37(35)43(42)46-39;1-3-11-33-30(8-1)31-9-2-4-12-34(31)39-38(33)41-24-36(42-39)28-22-18-26(19-23-28)25-16-20-27(21-17-25)29-13-7-14-35-32-10-5-6-15-37(32)43-40(29)35/h1-32H;1-26H;1-24H
InChIKeyBWVZWPWEZMVAPN-UHFFFAOYSA-N
XLogP37.93
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001880.33
LogP ≤ 537.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

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
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
7,10-Bis[3-[3-(6-fluorodibenzofuran-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 168745263
1-(7-Tert-butyl-8-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3-methyl-1-benzothiophen-2-yl)isoquinolin-2-ium
CID 169033846
1-(7-Tert-butyl-8-fluoro-2-methyldibenzofuran-4-yl)-6-(3-methyl-1-benzothiophen-2-yl)isoquinoline
CID 170219905
[11-Dibenzothiophen-2-yl-17-fluoro-3-methylidene-37-(2-methylpropyl)-19-phenyl-15-oxa-4,11-diaza-40-azonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-pentadecaen-38-yl]-trimethylsilane
CID 174080546
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
2-(9-Fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 171423680
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 157487259) is 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2cccc(-c3cccc4c3oc3ccc5ccccc5c34)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1ccc(-c2ccc3sc4c(-c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)cc3)cccc12.
What is the InChIKey of 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is BWVZWPWEZMVAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S.C44H26N2O.C40H24N2S/c1-3-13-33(14-4-1)37-25-26-49-46(29-37)47-31-40(34-15-5-2-6-16-34)30-45(52(47)55-49)38-19-11-17-35(27-38)36-18-12-20-39(28-36)48-32-53-50-43-23-9-7-21-41(43)42-22-8-10-24-44(42)51(50)54-48;1-2-15-32-27(10-1)22-23-40-41(32)38-21-9-20-33(44(38)47-40)30-13-7-11-28(24-30)29-12-8-14-31(25-29)39-26-45-42-36-18-5-3-16-34(36)35-17-4-6-19-37(35)43(42)46-39;1-3-11-33-30(8-1)31-9-2-4-12-34(31)39-38(33)41-24-36(42-39)28-22-18-26(19-23-28)25-16-20-27(21-17-25)29-13-7-14-35-32-10-5-6-15-37(32)43-40(29)35/h1-32H;1-26H;1-24H.
What are the key properties of 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1880.33 g/mol, XLogP of 37.93, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157487259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).