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

C34H20N2S — CID 58410043

IUPAC3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C34H20N2S/c1-3-13-27-24(10-1)25-11-2-4-14-28(25)34-33(27)35-20-30(36-34)23-9-7-8-21(18-23)22-16-17-32-29(19-22)26-12-5-6-15-31(26)37-32/h1-20H
InChIKeyLPNHIUGVANANHA-UHFFFAOYSA-N
MW488.62 g/mol
LogP9.64
Rot. Bonds2

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

3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 58410043) has the molecular formula C34H20N2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID58410043
Molecular FormulaC34H20N2S
Molecular Weight488.62 g/mol
Exact Mass488.13
IUPAC Name3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C34H20N2S/c1-3-13-27-24(10-1)25-11-2-4-14-28(25)34-33(27)35-20-30(36-34)23-9-7-8-21(18-23)22-16-17-32-29(19-22)26-12-5-6-15-31(26)37-32/h1-20H
InChIKeyLPNHIUGVANANHA-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

3-(3-dibenzothiophen-2-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410093
3-(4-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410089
3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 58410390
3-[7-(3-dibenzothiophen-2-ylphenyl)-9-ethyl-9-methylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129075586
3-[3-[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425352
3-[4-[4-(4-dibenzothiophen-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 129063289
3-[4-[4-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063218
3-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 129063187
10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 88858573
3-[4-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425350
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;prop-1-ene
CID 144724779
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[9,9-dimethyl-7-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158509894

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine (CID 58410043) is 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.
What is the InChIKey of 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is LPNHIUGVANANHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2S/c1-3-13-27-24(10-1)25-11-2-4-14-28(25)34-33(27)35-20-30(36-34)23-9-7-8-21(18-23)22-16-17-32-29(19-22)26-12-5-6-15-31(26)37-32/h1-20H.
What are the key properties of 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine?
3-(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 3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).