3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine

C36H24N2O — CID 58410295

IUPAC3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c3ccc(C)cc3c3nc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cnc3c2c1
InChIInChI=1S/C36H24N2O/c1-21-13-15-26-27-16-14-22(2)18-31(27)35-34(30(26)17-21)37-20-32(38-35)24-8-5-7-23(19-24)25-10-6-11-29-28-9-3-4-12-33(28)39-36(25)29/h3-20H,1-2H3
InChIKeyOZCLBERODPCIMT-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.79
Rot. Bonds2

About 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine

3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine (PubChem CID 58410295) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
PubChem CID58410295
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c3ccc(C)cc3c3nc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cnc3c2c1
InChIInChI=1S/C36H24N2O/c1-21-13-15-26-27-16-14-22(2)18-31(27)35-34(30(26)17-21)37-20-32(38-35)24-8-5-7-23(19-24)25-10-6-11-29-28-9-3-4-12-33(28)39-36(25)29/h3-20H,1-2H3
InChIKeyOZCLBERODPCIMT-UHFFFAOYSA-N
XLogP9.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 159901904
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
6,11-ditert-butyl-3-[3,5-di(dibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475703
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
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-[2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063383
3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine
CID 89475765
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
3-[3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 129063368

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine (CID 58410295) is 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine is Cc1ccc2c3ccc(C)cc3c3nc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cnc3c2c1.
What is the InChIKey of 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine?
The InChIKey is OZCLBERODPCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-21-13-15-26-27-16-14-22(2)18-31(27)35-34(30(26)17-21)37-20-32(38-35)24-8-5-7-23(19-24)25-10-6-11-29-28-9-3-4-12-33(28)39-36(25)29/h3-20H,1-2H3.
What are the key properties of 3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine?
3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine has a molecular weight of 500.60 g/mol, XLogP of 9.79, 2 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)-6,11-dimethylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).