3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine

C58H36N2O — CID 89425358

IUPAC3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6-c6cnc7c8ccccc8c8ccccc8c7n6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C58H36N2O/c1-3-15-37(16-4-1)39-19-13-21-41(31-39)43-29-30-55-51(33-43)53-35-44(42-22-14-20-40(32-42)38-17-5-2-6-18-38)34-52(58(53)61-55)47-25-7-10-26-48(47)54-36-59-56-49-27-11-8-23-45(49)46-24-9-12-28-50(46)57(56)60-54/h1-36H
InChIKeyODECPFPOHVIINX-UHFFFAOYSA-N
MW776.94 g/mol
LogP15.84
Rot. Bonds6

About 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 89425358) has the molecular formula C58H36N2O and a molecular weight of 776.94 g/mol. Its IUPAC name is 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID89425358
Molecular FormulaC58H36N2O
Molecular Weight776.94 g/mol
Exact Mass776.28
IUPAC Name3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6-c6cnc7c8ccccc8c8ccccc8c7n6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C58H36N2O/c1-3-15-37(16-4-1)39-19-13-21-41(31-39)43-29-30-55-51(33-43)53-35-44(42-22-14-20-40(32-42)38-17-5-2-6-18-38)34-52(58(53)61-55)47-25-7-10-26-48(47)54-36-59-56-49-27-11-8-23-45(49)46-24-9-12-28-50(46)57(56)60-54/h1-36H
InChIKeyODECPFPOHVIINX-UHFFFAOYSA-N
XLogP15.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 515.84
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-[4-[2-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425374
3-[2,6-bis(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475732
3-[2-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410192
3-[3-[2,8-bis(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425272
3-[2-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[2,8-diphenyl-6-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158983226
3-[3-[3-[2,8-bis(3,5-dimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425369
3-[3-(4,6,8-triphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118227579
3-[2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063383
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 89425358) is 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccccc6-c6cnc7c8ccccc8c8ccccc8c7n6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is ODECPFPOHVIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O/c1-3-15-37(16-4-1)39-19-13-21-41(31-39)43-29-30-55-51(33-43)53-35-44(42-22-14-20-40(32-42)38-17-5-2-6-18-38)34-52(58(53)61-55)47-25-7-10-26-48(47)54-36-59-56-49-27-11-8-23-45(49)46-24-9-12-28-50(46)57(56)60-54/h1-36H.
What are the key properties of 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 776.94 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 89425358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).