10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine

C34H20N2S — CID 88858573

IUPAC10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1
InChIInChI=1S/C34H20N2S/c1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32/h1-20H
InChIKeyATIMAWURZWXTBF-UHFFFAOYSA-N
MW488.62 g/mol
LogP9.64
Rot. Bonds2

About 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine

10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 88858573) has the molecular formula C34H20N2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID88858573
Molecular FormulaC34H20N2S
Molecular Weight488.62 g/mol
Exact Mass488.13
IUPAC Name10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1
InChIInChI=1S/C34H20N2S/c1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32/h1-20H
InChIKeyATIMAWURZWXTBF-UHFFFAOYSA-N
XLogP9.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.62
LogP ≤ 59.64
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

7,10-bis[3-(3-dibenzothiophen-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745295
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
10-(4-dibenzothiophen-2-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 160852164
10-[3-(8-tert-butyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858588
10-[4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063275
10-(4-dibenzothiophen-2-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88858582
3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 58410043
10-[4-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063369
3-(3-dibenzothiophen-2-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410093
6-[3-[3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063415
10-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858379

Frequently Asked Questions

What is the IUPAC name of 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine (CID 88858573) is 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.
What is the InChIKey of 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is ATIMAWURZWXTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2S/c1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32/h1-20H.
What are the key properties of 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 488.62 g/mol, XLogP of 9.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).