2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline

C188H112N36O2S2 — CID 161049999

IUPAC2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(OC)cc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(C3N=c4c(c5cccnc5c5ncccc45)=NC3c3ccccc3)cc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.c1csc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2cccs2)c1
InChIInChI=1S/C46H28N8.C28H20N4O2.C26H16N4.C24H12N6.C24H14N6.C22H12N4S2.C18H10N4/c1-3-11-27(12-4-1)35-37(53-45-33-17-9-25-49-41(33)39-31(43(45)51-35)15-7-23-47-39)29-19-21-30(22-20-29)38-36(28-13-5-2-6-14-28)52-44-32-16-8-24-48-40(32)42-34(46(44)54-38)18-10-26-50-42;1-33-19-11-7-17(8-12-19)23-24(18-9-13-20(34-2)14-10-18)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25;1-3-9-17(10-4-1)21-22(18-11-5-2-6-12-18)30-26-20-14-8-16-28-24(20)23-19(25(26)29-21)13-7-15-27-23;1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;1-3-11-25-17(9-1)23-24(18-10-2-4-12-26-18)30-22-16-8-6-14-28-20(16)19-15(21(22)29-23)7-5-13-27-19;1-5-13-17(23-9-1)18-14(6-2-10-24-18)20-19(13)25-21(15-7-3-11-27-15)22(26-20)16-8-4-12-28-16;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-26,35,37H;3-16H,1-2H3;1-16H;1-12H;1-14H;1-12H;1-10H
InChIKeyUBZXWEMDMKZLHM-UHFFFAOYSA-N
MW2971.35 g/mol
LogP40.92
Rot. Bonds14

About 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline

2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 161049999) has the molecular formula C188H112N36O2S2 and a molecular weight of 2971.35 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
PubChem CID161049999
Molecular FormulaC188H112N36O2S2
Molecular Weight2971.35 g/mol
Exact Mass2968.92
IUPAC Name2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(OC)cc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(C3N=c4c(c5cccnc5c5ncccc45)=NC3c3ccccc3)cc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.c1csc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2cccs2)c1
InChIInChI=1S/C46H28N8.C28H20N4O2.C26H16N4.C24H12N6.C24H14N6.C22H12N4S2.C18H10N4/c1-3-11-27(12-4-1)35-37(53-45-33-17-9-25-49-41(33)39-31(43(45)51-35)15-7-23-47-39)29-19-21-30(22-20-29)38-36(28-13-5-2-6-14-28)52-44-32-16-8-24-48-40(32)42-34(46(44)54-38)18-10-26-50-42;1-33-19-11-7-17(8-12-19)23-24(18-9-13-20(34-2)14-10-18)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25;1-3-9-17(10-4-1)21-22(18-11-5-2-6-12-18)30-26-20-14-8-16-28-24(20)23-19(25(26)29-21)13-7-15-27-23;1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;1-3-11-25-17(9-1)23-24(18-10-2-4-12-26-18)30-22-16-8-6-14-28-20(16)19-15(21(22)29-23)7-5-13-27-19;1-5-13-17(23-9-1)18-14(6-2-10-24-18)20-19(13)25-21(15-7-3-11-27-15)22(26-20)16-8-4-12-28-16;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-26,35,37H;3-16H,1-2H3;1-16H;1-12H;1-14H;1-12H;1-10H
InChIKeyUBZXWEMDMKZLHM-UHFFFAOYSA-N
XLogP40.92
TPSA481.44 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds14
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002971.35
LogP ≤ 540.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline (CID 161049999) is 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline is COc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(OC)cc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(C3N=c4c(c5cccnc5c5ncccc45)=NC3c3ccccc3)cc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.c1csc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2cccs2)c1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is UBZXWEMDMKZLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N8.C28H20N4O2.C26H16N4.C24H12N6.C24H14N6.C22H12N4S2.C18H10N4/c1-3-11-27(12-4-1)35-37(53-45-33-17-9-25-49-41(33)39-31(43(45)51-35)15-7-23-47-39)29-19-21-30(22-20-29)38-36(28-13-5-2-6-14-28)52-44-32-16-8-24-48-40(32)42-34(46(44)54-38)18-10-26-50-42;1-33-19-11-7-17(8-12-19)23-24(18-9-13-20(34-2)14-10-18)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25;1-3-9-17(10-4-1)21-22(18-11-5-2-6-12-18)30-26-20-14-8-16-28-24(20)23-19(25(26)29-21)13-7-15-27-23;1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;1-3-11-25-17(9-1)23-24(18-10-2-4-12-26-18)30-22-16-8-6-14-28-20(16)19-15(21(22)29-23)7-5-13-27-19;1-5-13-17(23-9-1)18-14(6-2-10-24-18)20-19(13)25-21(15-7-3-11-27-15)22(26-20)16-8-4-12-28-16;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-26,35,37H;3-16H,1-2H3;1-16H;1-12H;1-14H;1-12H;1-10H.
What are the key properties of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 2971.35 g/mol, XLogP of 40.92, 14 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline;2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;2-phenyl-3-[4-(2-phenyl-2,3-dihydropyrazino[2,3-f][1,10]phenanthrolin-3-yl)phenyl]pyrazino[2,3-f][1,10]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 161049999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).