6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine

C228H134N8S4 — CID 157058652

IUPAC6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c6ccccc56)c5ccccc45)c4ccccc34)cccc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5cc(-c6ccc7cc(-c8ccc9c%10ccccc%10c%10nccnc%10c9c8)ccc7c6)ccc5c4)cc3)cccc12.c1ccc2c(c1)sc1c(-c3ccc4cc(-c5ccc6cc(-c7ccc8cc(-c9ccc%10c%11ccccc%11c%11nccnc%11c%10c9)ccc8c7)ccc6c5)ccc4c3)cccc12.c1ccc2c(c1)sc1c(-c3cccc4c(-c5cccc6c(-c7cccc8c(-c9ccc%10c%11ccccc%11c%11nccnc%11c%10c9)cccc78)cccc56)cccc34)cccc12
InChIInChI=1S/3C58H34N2S.C54H32N2S/c1-2-14-51-47(12-1)49-31-30-35(34-54(49)57-56(51)59-32-33-60-57)36-15-5-17-38-37(36)16-6-18-39(38)40-19-7-21-42-41(40)20-8-22-43(42)44-23-9-25-46-45(44)24-10-26-48(46)52-27-11-28-53-50-13-3-4-29-55(50)61-58(52)53;1-2-13-38-37(12-1)36(35-24-25-49-43-18-7-8-20-51(43)56-57(54(49)34-35)60-33-32-59-56)26-27-44(38)45-28-29-46(40-15-4-3-14-39(40)45)47-30-31-48(42-17-6-5-16-41(42)47)52-21-11-22-53-50-19-9-10-23-55(50)61-58(52)53;1-2-8-52-49(6-1)50-25-24-46(34-54(50)57-56(52)59-26-27-60-57)44-20-18-40-30-38(16-17-42(40)32-44)36-12-13-37-29-39(15-14-35(37)28-36)41-19-21-45-33-47(23-22-43(45)31-41)48-9-5-10-53-51-7-3-4-11-55(51)61-58(48)53;1-2-8-48-45(6-1)46-25-24-43(32-50(46)53-52(48)55-26-27-56-53)42-23-22-40-30-39(20-21-41(40)31-42)38-19-18-36-28-35(16-17-37(36)29-38)33-12-14-34(15-13-33)44-9-5-10-49-47-7-3-4-11-51(47)57-54(44)49/h3*1-34H;1-32H
InChIKeyABBCLYOOGMLYNI-UHFFFAOYSA-N
MW3113.90 g/mol
LogP64.57
Rot. Bonds16

About 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine

6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine (PubChem CID 157058652) has the molecular formula C228H134N8S4 and a molecular weight of 3113.90 g/mol. Its IUPAC name is 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine
PubChem CID157058652
Molecular FormulaC228H134N8S4
Molecular Weight3113.90 g/mol
Exact Mass3110.96
IUPAC Name6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c6ccccc56)c5ccccc45)c4ccccc34)cccc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5cc(-c6ccc7cc(-c8ccc9c%10ccccc%10c%10nccnc%10c9c8)ccc7c6)ccc5c4)cc3)cccc12.c1ccc2c(c1)sc1c(-c3ccc4cc(-c5ccc6cc(-c7ccc8cc(-c9ccc%10c%11ccccc%11c%11nccnc%11c%10c9)ccc8c7)ccc6c5)ccc4c3)cccc12.c1ccc2c(c1)sc1c(-c3cccc4c(-c5cccc6c(-c7cccc8c(-c9ccc%10c%11ccccc%11c%11nccnc%11c%10c9)cccc78)cccc56)cccc34)cccc12
InChIInChI=1S/3C58H34N2S.C54H32N2S/c1-2-14-51-47(12-1)49-31-30-35(34-54(49)57-56(51)59-32-33-60-57)36-15-5-17-38-37(36)16-6-18-39(38)40-19-7-21-42-41(40)20-8-22-43(42)44-23-9-25-46-45(44)24-10-26-48(46)52-27-11-28-53-50-13-3-4-29-55(50)61-58(52)53;1-2-13-38-37(12-1)36(35-24-25-49-43-18-7-8-20-51(43)56-57(54(49)34-35)60-33-32-59-56)26-27-44(38)45-28-29-46(40-15-4-3-14-39(40)45)47-30-31-48(42-17-6-5-16-41(42)47)52-21-11-22-53-50-19-9-10-23-55(50)61-58(52)53;1-2-8-52-49(6-1)50-25-24-46(34-54(50)57-56(52)59-26-27-60-57)44-20-18-40-30-38(16-17-42(40)32-44)36-12-13-37-29-39(15-14-35(37)28-36)41-19-21-45-33-47(23-22-43(45)31-41)48-9-5-10-53-51-7-3-4-11-55(51)61-58(48)53;1-2-8-48-45(6-1)46-25-24-43(32-50(46)53-52(48)55-26-27-56-53)42-23-22-40-30-39(20-21-41(40)31-42)38-19-18-36-28-35(16-17-37(36)29-38)33-12-14-34(15-13-33)44-9-5-10-49-47-7-3-4-11-51(47)57-54(44)49/h3*1-34H;1-32H
InChIKeyABBCLYOOGMLYNI-UHFFFAOYSA-N
XLogP64.57
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003113.90
LogP ≤ 564.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

Bis(phenanthrolinylthienyl)-hexafluorocyclopentene
CID 129856472
5,6-Dithienyl-1,10-phenanthroline
CID 66704234
5,6-Bis(2,5-dimethylthiophen-3-yl)-1,10-phenanthroline
CID 70867567
Dithienobenzoquinoxaline
CID 129856263
10-[2-[2,3-Diphenyl-8-(4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)quinoxalin-5-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-6-yl]-3,13-dimethyl-6-(trifluoromethyl)phenanthro[9,10-b]quinoxaline
CID 89831196
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90050098
2-(4-Dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90050102
2-[3,5-Di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90050104
2-[3,5-Di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90050108
22-[7-(3,5-Difluorophenyl)quinolin-3-yl]-8-thia-22-azaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene
CID 90250088
20-[9-[4-(Trifluoromethyl)phenyl]carbazol-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
CID 123703510
7-[6-[7-[2-(1,10-Phenanthrolin-2-yl)ethynyl]dibenzothiophen-3-yl]triphenylen-1-yl]-2-(1,3,4,5,6,7,8,9,10,11,12-undecafluorotriphenylen-2-yl)-1,10-phenanthroline
CID 129174852

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine (CID 157058652) is 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine is c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c6ccccc56)c5ccccc45)c4ccccc34)cccc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5cc(-c6ccc7cc(-c8ccc9c%10ccccc%10c%10nccnc%10c9c8)ccc7c6)ccc5c4)cc3)cccc12.c1ccc2c(c1)sc1c(-c3ccc4cc(-c5ccc6cc(-c7ccc8cc(-c9ccc%10c%11ccccc%11c%11nccnc%11c%10c9)ccc8c7)ccc6c5)ccc4c3)cccc12.c1ccc2c(c1)sc1c(-c3cccc4c(-c5cccc6c(-c7cccc8c(-c9ccc%10c%11ccccc%11c%11nccnc%11c%10c9)cccc78)cccc56)cccc34)cccc12.
What is the InChIKey of 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine?
The InChIKey is ABBCLYOOGMLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C58H34N2S.C54H32N2S/c1-2-14-51-47(12-1)49-31-30-35(34-54(49)57-56(51)59-32-33-60-57)36-15-5-17-38-37(36)16-6-18-39(38)40-19-7-21-42-41(40)20-8-22-43(42)44-23-9-25-46-45(44)24-10-26-48(46)52-27-11-28-53-50-13-3-4-29-55(50)61-58(52)53;1-2-13-38-37(12-1)36(35-24-25-49-43-18-7-8-20-51(43)56-57(54(49)34-35)60-33-32-59-56)26-27-44(38)45-28-29-46(40-15-4-3-14-39(40)45)47-30-31-48(42-17-6-5-16-41(42)47)52-21-11-22-53-50-19-9-10-23-55(50)61-58(52)53;1-2-8-52-49(6-1)50-25-24-46(34-54(50)57-56(52)59-26-27-60-57)44-20-18-40-30-38(16-17-42(40)32-44)36-12-13-37-29-39(15-14-35(37)28-36)41-19-21-45-33-47(23-22-43(45)31-41)48-9-5-10-53-51-7-3-4-11-55(51)61-58(48)53;1-2-8-48-45(6-1)46-25-24-43(32-50(46)53-52(48)55-26-27-56-53)42-23-22-40-30-39(20-21-41(40)31-42)38-19-18-36-28-35(16-17-37(36)29-38)33-12-14-34(15-13-33)44-9-5-10-49-47-7-3-4-11-51(47)57-54(44)49/h3*1-34H;1-32H.
What are the key properties of 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine?
6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 3113.90 g/mol, XLogP of 64.57, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157058652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).