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

C46H28N2O — CID 129063437

IUPAC3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C46H28N2O/c1-3-13-39-36(10-1)37-11-2-4-14-40(37)46-45(39)47-28-42(48-46)35-9-7-8-33(26-35)31-20-16-29(17-21-31)30-18-22-32(23-19-30)34-24-25-44-41(27-34)38-12-5-6-15-43(38)49-44/h1-28H
InChIKeySIQCVECVHVEANF-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

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

3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063437) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129063437
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C46H28N2O/c1-3-13-39-36(10-1)37-11-2-4-14-40(37)46-45(39)47-28-42(48-46)35-9-7-8-33(26-35)31-20-16-29(17-21-31)30-18-22-32(23-19-30)34-24-25-44-41(27-34)38-12-5-6-15-43(38)49-44/h1-28H
InChIKeySIQCVECVHVEANF-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-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063503
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 158679722
3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063529
3-[7-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063517
3-[4-[7-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063570
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
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-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 129063512
3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58410373
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063437) is 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2ccc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.
What is the InChIKey of 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is SIQCVECVHVEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-3-13-39-36(10-1)37-11-2-4-14-40(37)46-45(39)47-28-42(48-46)35-9-7-8-33(26-35)31-20-16-29(17-21-31)30-18-22-32(23-19-30)34-24-25-44-41(27-34)38-12-5-6-15-43(38)49-44/h1-28H.
What are the key properties of 3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]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-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).