10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C156H96N8O4 — CID 157425912

IUPAC10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(-c2cccc3c2oc2ccccc23)c(C)cc1-c1ccc2c(c1)c1ccccc1c1nccnc21.c1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc2)c1.c1ccc(-c2ccccc2-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1
InChIInChI=1S/3C40H24N2O.C36H24N2O/c1-2-14-33-31(12-1)36-24-28(18-19-34(36)39-38(33)41-20-21-42-39)26-9-5-8-25(22-26)27-10-6-11-29(23-27)30-15-7-16-35-32-13-3-4-17-37(32)43-40(30)35;1-2-11-27(28-12-3-4-13-29(28)34-17-9-18-35-31-15-7-8-19-37(31)43-40(34)35)26(10-1)25-20-21-33-36(24-25)30-14-5-6-16-32(30)38-39(33)42-23-22-41-38;1-2-9-29(34-13-7-14-35-31-11-5-6-15-37(31)43-40(34)35)28(8-1)26-18-16-25(17-19-26)27-20-21-33-36(24-27)30-10-3-4-12-32(30)38-39(33)42-23-22-41-38;1-21-19-31(29-12-7-11-28-25-9-5-6-13-33(25)39-36(28)29)22(2)18-30(21)23-14-15-27-32(20-23)24-8-3-4-10-26(24)34-35(27)38-17-16-37-34/h3*1-24H;3-20H,1-2H3
InChIKeyBPYMLZXHUXKXAT-UHFFFAOYSA-N
MW2146.54 g/mol
LogP42.30
Rot. Bonds11

About 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 157425912) has the molecular formula C156H96N8O4 and a molecular weight of 2146.54 g/mol. Its IUPAC name is 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID157425912
Molecular FormulaC156H96N8O4
Molecular Weight2146.54 g/mol
Exact Mass2144.76
IUPAC Name10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(-c2cccc3c2oc2ccccc23)c(C)cc1-c1ccc2c(c1)c1ccccc1c1nccnc21.c1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc2)c1.c1ccc(-c2ccccc2-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1
InChIInChI=1S/3C40H24N2O.C36H24N2O/c1-2-14-33-31(12-1)36-24-28(18-19-34(36)39-38(33)41-20-21-42-39)26-9-5-8-25(22-26)27-10-6-11-29(23-27)30-15-7-16-35-32-13-3-4-17-37(32)43-40(30)35;1-2-11-27(28-12-3-4-13-29(28)34-17-9-18-35-31-15-7-8-19-37(31)43-40(34)35)26(10-1)25-20-21-33-36(24-25)30-14-5-6-16-32(30)38-39(33)42-23-22-41-38;1-2-9-29(34-13-7-14-35-31-11-5-6-15-37(31)43-40(34)35)28(8-1)26-18-16-25(17-19-26)27-20-21-33-36(24-27)30-10-3-4-12-32(30)38-39(33)42-23-22-41-38;1-21-19-31(29-12-7-11-28-25-9-5-6-13-33(25)39-36(28)29)22(2)18-30(21)23-14-15-27-32(20-23)24-8-3-4-10-26(24)34-35(27)38-17-16-37-34/h3*1-24H;3-20H,1-2H3
InChIKeyBPYMLZXHUXKXAT-UHFFFAOYSA-N
XLogP42.30
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.54
LogP ≤ 542.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

2-(4-Dibenzofuran-4-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 90049864
2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049926
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
3,8-Di(dibenzofuran-2-yl)-5,6-difluoro-1,10-phenanthroline
CID 121460995
3,8-Di(dibenzofuran-4-yl)-5,6-difluoro-1,10-phenanthroline
CID 134167031
3-dibenzofuran-2-yl-8-[8-[4-(8-dibenzofuran-4-yl-5,6-difluoro-10-methyl-9H-1,10-phenanthrolin-3-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-5,6-difluoro-1,10-phenanthroline
CID 134445878
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
8-(1-cyclopentylethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(2H-dibenzofuran-2-id-3-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;4-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-7-fluorobenzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
CID 157731989
2,4-Diphenyl-6-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-1,3,5-triazine;6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]quinoline;3-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
CID 157749525
CID 158406538
CID 158406538

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 157425912) is 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is Cc1cc(-c2cccc3c2oc2ccccc23)c(C)cc1-c1ccc2c(c1)c1ccccc1c1nccnc21.c1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cc2)c1.c1ccc(-c2ccccc2-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.
What is the InChIKey of 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is BPYMLZXHUXKXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H24N2O.C36H24N2O/c1-2-14-33-31(12-1)36-24-28(18-19-34(36)39-38(33)41-20-21-42-39)26-9-5-8-25(22-26)27-10-6-11-29(23-27)30-15-7-16-35-32-13-3-4-17-37(32)43-40(30)35;1-2-11-27(28-12-3-4-13-29(28)34-17-9-18-35-31-15-7-8-19-37(31)43-40(34)35)26(10-1)25-20-21-33-36(24-25)30-14-5-6-16-32(30)38-39(33)42-23-22-41-38;1-2-9-29(34-13-7-14-35-31-11-5-6-15-37(31)43-40(34)35)28(8-1)26-18-16-25(17-19-26)27-20-21-33-36(24-27)30-10-3-4-12-32(30)38-39(33)42-23-22-41-38;1-21-19-31(29-12-7-11-28-25-9-5-6-13-33(25)39-36(28)29)22(2)18-30(21)23-14-15-27-32(20-23)24-8-3-4-10-26(24)34-35(27)38-17-16-37-34/h3*1-24H;3-20H,1-2H3.
What are the key properties of 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 2146.54 g/mol, XLogP of 42.30, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157425912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).