3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine

C46H28N2O — CID 58410142

IUPAC3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4nc3-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-29(13-3-1)30-24-26-31(27-25-30)42-43(48-45-39-20-7-5-17-36(39)35-16-4-6-19-38(35)44(45)47-42)33-15-10-14-32(28-33)34-21-11-22-40-37-18-8-9-23-41(37)49-46(34)40/h1-28H
InChIKeyFLBJWDHGOMMCCH-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine

3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 58410142) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID58410142
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4nc3-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-29(13-3-1)30-24-26-31(27-25-30)42-43(48-45-39-20-7-5-17-36(39)35-16-4-6-19-38(35)44(45)47-42)33-15-10-14-32(28-33)34-21-11-22-40-37-18-8-9-23-41(37)49-46(34)40/h1-28H
InChIKeyFLBJWDHGOMMCCH-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-2-[4-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063449
3-tert-butyl-2-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063488
3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 160606052
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine (CID 58410142) is 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine is c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4nc3-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is FLBJWDHGOMMCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-12-29(13-3-1)30-24-26-31(27-25-30)42-43(48-45-39-20-7-5-17-36(39)35-16-4-6-19-38(35)44(45)47-42)33-15-10-14-32(28-33)34-21-11-22-40-37-18-8-9-23-41(37)49-46(34)40/h1-28H.
What are the key properties of 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine?
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).