3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine

C48H30N2O2 — CID 89475765

IUPAC3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3c(-c4cccc5c4oc4ccccc45)cccc3-c3cccc4c3oc3ccccc34)cnc21
InChIInChI=1S/C48H30N2O2/c1-27-20-22-33-39(24-27)40-25-28(2)21-23-34(40)46-45(33)49-26-41(50-46)44-31(37-16-8-14-35-29-10-3-5-18-42(29)51-47(35)37)12-7-13-32(44)38-17-9-15-36-30-11-4-6-19-43(30)52-48(36)38/h3-26H,1-2H3
InChIKeyWWXRVIFIVBOPDD-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.35
Rot. Bonds3

About 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine

3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine (PubChem CID 89475765) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine
PubChem CID89475765
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC Name3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3c(-c4cccc5c4oc4ccccc45)cccc3-c3cccc4c3oc3ccccc34)cnc21
InChIInChI=1S/C48H30N2O2/c1-27-20-22-33-39(24-27)40-25-28(2)21-23-34(40)46-45(33)49-26-41(50-46)44-31(37-16-8-14-35-29-10-3-5-18-42(29)51-47(35)37)12-7-13-32(44)38-17-9-15-36-30-11-4-6-19-43(30)52-48(36)38/h3-26H,1-2H3
InChIKeyWWXRVIFIVBOPDD-UHFFFAOYSA-N
XLogP13.35
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
CID 58410295
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-(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-[2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063383
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
3-[2,6-bis(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475732
3-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine (CID 89475765) is 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine is Cc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3c(-c4cccc5c4oc4ccccc45)cccc3-c3cccc4c3oc3ccccc34)cnc21.
What is the InChIKey of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine?
The InChIKey is WWXRVIFIVBOPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-27-20-22-33-39(24-27)40-25-28(2)21-23-34(40)46-45(33)49-26-41(50-46)44-31(37-16-8-14-35-29-10-3-5-18-42(29)51-47(35)37)12-7-13-32(44)38-17-9-15-36-30-11-4-6-19-43(30)52-48(36)38/h3-26H,1-2H3.
What are the key properties of 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine?
3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine has a molecular weight of 666.78 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 89475765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).