10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine

C108H64N6O2S — CID 157157009

IUPAC10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc2c2nccnc32)cc1.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)cc12
InChIInChI=1S/C40H24N2S.2C34H20N2O/c1-2-7-25(8-3-1)28-13-16-32-34(22-28)35-23-29(14-17-33(35)40-39(32)41-19-20-42-40)26-9-6-10-27(21-26)30-15-18-38-36(24-30)31-11-4-5-12-37(31)43-38;1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32;1-2-7-27-25(5-1)29-19-23(13-15-28(29)34-33(27)35-17-18-36-34)21-9-11-22(12-10-21)24-14-16-32-30(20-24)26-6-3-4-8-31(26)37-32/h1-24H;2*1-20H
InChIKeyALXUIZLYKUYTNO-UHFFFAOYSA-N
MW1509.81 g/mol
LogP29.64
Rot. Bonds7

About 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine

10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine (PubChem CID 157157009) has the molecular formula C108H64N6O2S and a molecular weight of 1509.81 g/mol. Its IUPAC name is 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
PubChem CID157157009
Molecular FormulaC108H64N6O2S
Molecular Weight1509.81 g/mol
Exact Mass1508.48
IUPAC Name10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc2c2nccnc32)cc1.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)cc12
InChIInChI=1S/C40H24N2S.2C34H20N2O/c1-2-7-25(8-3-1)28-13-16-32-34(22-28)35-23-29(14-17-33(35)40-39(32)41-19-20-42-40)26-9-6-10-27(21-26)30-15-18-38-36(24-30)31-11-4-5-12-37(31)43-38;1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32;1-2-7-27-25(5-1)29-19-23(13-15-28(29)34-33(27)35-17-18-36-34)21-9-11-22(12-10-21)24-14-16-32-30(20-24)26-6-3-4-8-31(26)37-32/h1-24H;2*1-20H
InChIKeyALXUIZLYKUYTNO-UHFFFAOYSA-N
XLogP29.64
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001509.81
LogP ≤ 529.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

2-[3,5-Di(dibenzofuran-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049930
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
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
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
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268

Frequently Asked Questions

What is the IUPAC name of 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine (CID 157157009) is 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc2c2nccnc32)cc1.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nccnc54)cc3)cc12.
What is the InChIKey of 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
The InChIKey is ALXUIZLYKUYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2S.2C34H20N2O/c1-2-7-25(8-3-1)28-13-16-32-34(22-28)35-23-29(14-17-33(35)40-39(32)41-19-20-42-40)26-9-6-10-27(21-26)30-15-18-38-36(24-30)31-11-4-5-12-37(31)43-38;1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32;1-2-7-27-25(5-1)29-19-23(13-15-28(29)34-33(27)35-17-18-36-34)21-9-11-22(12-10-21)24-14-16-32-30(20-24)26-6-3-4-8-31(26)37-32/h1-24H;2*1-20H.
What are the key properties of 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine has a molecular weight of 1509.81 g/mol, XLogP of 29.64, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157157009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).