10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine

C40H24N2O — CID 88858629

IUPAC10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2cnc3c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4c4ccccc4c3n2)cc1
InChIInChI=1S/C40H24N2O/c1-2-9-25(10-3-1)36-24-41-39-33-19-17-28(22-34(33)30-13-4-5-15-32(30)40(39)42-36)26-11-8-12-27(21-26)29-18-20-38-35(23-29)31-14-6-7-16-37(31)43-38/h1-24H
InChIKeyKZTOCLXXLXPNGY-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine

10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine (PubChem CID 88858629) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
PubChem CID88858629
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2cnc3c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4c4ccccc4c3n2)cc1
InChIInChI=1S/C40H24N2O/c1-2-9-25(10-3-1)36-24-41-39-33-19-17-28(22-34(33)30-13-4-5-15-32(30)40(39)42-36)26-11-8-12-27(21-26)29-18-20-38-35(23-29)31-14-6-7-16-37(31)43-38/h1-24H
InChIKeyKZTOCLXXLXPNGY-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
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
3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063437
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-[4-[7-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063570
10-(3-dibenzofuran-4-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 162190524
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[7-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063517
3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 129063512
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58410373

Frequently Asked Questions

What is the IUPAC name of 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine (CID 88858629) is 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine is c1ccc(-c2cnc3c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4c4ccccc4c3n2)cc1.
What is the InChIKey of 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?
The InChIKey is KZTOCLXXLXPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-9-25(10-3-1)36-24-41-39-33-19-17-28(22-34(33)30-13-4-5-15-32(30)40(39)42-36)26-11-8-12-27(21-26)29-18-20-38-35(23-29)31-14-6-7-16-37(31)43-38/h1-24H.
What are the key properties of 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine?
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).