8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine

C180H100N30O6 — CID 157378503

IUPAC8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc(-c3ccc4oc5nccnc5c4c3)nc(-c3cc4cccnc4c4ncccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5nccnc5c4c3)nc(-c3ccc4ccc5cccnc5c4n3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5oc6nccnc6c5c4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6nccnc6c5c4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6nccnc6c5c4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4oc5nccnc5c4c3)nc12
InChIInChI=1S/C36H20N4O.C32H18N4O.2C31H17N7O.C28H16N4O.C22H12N4O/c1-3-9-26-24(7-1)31(23-14-16-30-28(20-23)35-36(41-30)39-19-18-38-35)25-8-2-4-10-27(25)32(26)29-15-13-22-12-11-21-6-5-17-37-33(21)34(22)40-29;1-2-6-24-23(5-1)22(21-10-14-28-26(18-21)31-32(37-28)35-17-16-34-31)11-12-25(24)27-13-9-20-8-7-19-4-3-15-33-29(19)30(20)36-27;1-2-6-18(7-3-1)28-36-29(20-10-11-24-23(17-20)27-31(39-24)35-15-14-34-27)38-30(37-28)22-16-19-8-4-12-32-25(19)26-21(22)9-5-13-33-26;1-2-5-20(6-3-1)28-36-29(21-11-13-24-22(17-21)27-31(39-24)34-16-15-33-27)38-30(37-28)23-12-10-19-9-8-18-7-4-14-32-25(18)26(19)35-23;1-2-19-7-8-20-9-11-23(32-26(20)25(19)29-13-1)18-5-3-17(4-6-18)21-10-12-24-22(16-21)27-28(33-24)31-15-14-30-27;1-2-13-3-4-14-5-7-17(26-20(14)19(13)23-9-1)15-6-8-18-16(12-15)21-22(27-18)25-11-10-24-21/h1-20H;1-18H;2*1-17H;1-16H;1-12H
InChIKeyBKPFSBRVIXNXFN-UHFFFAOYSA-N
MW2778.98 g/mol
LogP42.33
Rot. Bonds13

About 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine

8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine (PubChem CID 157378503) has the molecular formula C180H100N30O6 and a molecular weight of 2778.98 g/mol. Its IUPAC name is 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine
PubChem CID157378503
Molecular FormulaC180H100N30O6
Molecular Weight2778.98 g/mol
Exact Mass2776.84
IUPAC Name8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc(-c3ccc4oc5nccnc5c4c3)nc(-c3cc4cccnc4c4ncccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5nccnc5c4c3)nc(-c3ccc4ccc5cccnc5c4n3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5oc6nccnc6c5c4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6nccnc6c5c4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6nccnc6c5c4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4oc5nccnc5c4c3)nc12
InChIInChI=1S/C36H20N4O.C32H18N4O.2C31H17N7O.C28H16N4O.C22H12N4O/c1-3-9-26-24(7-1)31(23-14-16-30-28(20-23)35-36(41-30)39-19-18-38-35)25-8-2-4-10-27(25)32(26)29-15-13-22-12-11-21-6-5-17-37-33(21)34(22)40-29;1-2-6-24-23(5-1)22(21-10-14-28-26(18-21)31-32(37-28)35-17-16-34-31)11-12-25(24)27-13-9-20-8-7-19-4-3-15-33-29(19)30(20)36-27;1-2-6-18(7-3-1)28-36-29(20-10-11-24-23(17-20)27-31(39-24)35-15-14-34-27)38-30(37-28)22-16-19-8-4-12-32-25(19)26-21(22)9-5-13-33-26;1-2-5-20(6-3-1)28-36-29(21-11-13-24-22(17-21)27-31(39-24)34-16-15-33-27)38-30(37-28)23-12-10-19-9-8-18-7-4-14-32-25(18)26(19)35-23;1-2-19-7-8-20-9-11-23(32-26(20)25(19)29-13-1)18-5-3-17(4-6-18)21-10-12-24-22(16-21)27-28(33-24)31-15-14-30-27;1-2-13-3-4-14-5-7-17(26-20(14)19(13)23-9-1)15-6-8-18-16(12-15)21-22(27-18)25-11-10-24-21/h1-20H;1-18H;2*1-17H;1-16H;1-12H
InChIKeyBKPFSBRVIXNXFN-UHFFFAOYSA-N
XLogP42.33
TPSA465.54 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds13
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.98
LogP ≤ 542.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine with MolForge

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Related Compounds

5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
CID 157919034
CID 157919034
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
CID 158868747
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-(2-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
CID 159309419
3-[4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyanophenyl]benzonitrile;3-[4,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-methylphenyl]benzonitrile;9-[4-(3-isocyanophenyl)-5-methyl-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(3-isocyanophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159788476
6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 160727104
CID 161082680
CID 161082680
15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579

Frequently Asked Questions

What is the IUPAC name of 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine (CID 157378503) is 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine is c1ccc(-c2nc(-c3ccc4oc5nccnc5c4c3)nc(-c3cc4cccnc4c4ncccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5nccnc5c4c3)nc(-c3ccc4ccc5cccnc5c4n3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5oc6nccnc6c5c4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6nccnc6c5c4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5oc6nccnc6c5c4)cc3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4oc5nccnc5c4c3)nc12.
What is the InChIKey of 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is BKPFSBRVIXNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4O.C32H18N4O.2C31H17N7O.C28H16N4O.C22H12N4O/c1-3-9-26-24(7-1)31(23-14-16-30-28(20-23)35-36(41-30)39-19-18-38-35)25-8-2-4-10-27(25)32(26)29-15-13-22-12-11-21-6-5-17-37-33(21)34(22)40-29;1-2-6-24-23(5-1)22(21-10-14-28-26(18-21)31-32(37-28)35-17-16-34-31)11-12-25(24)27-13-9-20-8-7-19-4-3-15-33-29(19)30(20)36-27;1-2-6-18(7-3-1)28-36-29(20-10-11-24-23(17-20)27-31(39-24)35-15-14-34-27)38-30(37-28)22-16-19-8-4-12-32-25(19)26-21(22)9-5-13-33-26;1-2-5-20(6-3-1)28-36-29(21-11-13-24-22(17-21)27-31(39-24)34-16-15-33-27)38-30(37-28)23-12-10-19-9-8-18-7-4-14-32-25(18)26(19)35-23;1-2-19-7-8-20-9-11-23(32-26(20)25(19)29-13-1)18-5-3-17(4-6-18)21-10-12-24-22(16-21)27-28(33-24)31-15-14-30-27;1-2-13-3-4-14-5-7-17(26-20(14)19(13)23-9-1)15-6-8-18-16(12-15)21-22(27-18)25-11-10-24-21/h1-20H;1-18H;2*1-17H;1-16H;1-12H.
What are the key properties of 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine?
8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 2778.98 g/mol, XLogP of 42.33, 13 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 157378503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).