3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine

C54H32N2O — CID 129063529

IUPAC3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cccc23)c1
InChIInChI=1S/C54H32N2O/c1-2-15-40-38(14-1)37(34-26-29-52-49(31-34)46-18-7-8-25-51(46)57-52)27-28-45(40)42-24-11-22-39-36(21-10-23-41(39)42)33-12-9-13-35(30-33)50-32-55-53-47-19-5-3-16-43(47)44-17-4-6-20-48(44)54(53)56-50/h1-32H
InChIKeyJFFUYYGRGPOLIX-UHFFFAOYSA-N
MW724.86 g/mol
LogP14.81
Rot. Bonds4

About 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063529) has the molecular formula C54H32N2O and a molecular weight of 724.86 g/mol. Its IUPAC name is 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129063529
Molecular FormulaC54H32N2O
Molecular Weight724.86 g/mol
Exact Mass724.25
IUPAC Name3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cccc23)c1
InChIInChI=1S/C54H32N2O/c1-2-15-40-38(14-1)37(34-26-29-52-49(31-34)46-18-7-8-25-51(46)57-52)27-28-45(40)42-24-11-22-39-36(21-10-23-41(39)42)33-12-9-13-35(30-33)50-32-55-53-47-19-5-3-16-43(47)44-17-4-6-20-48(44)54(53)56-50/h1-32H
InChIKeyJFFUYYGRGPOLIX-UHFFFAOYSA-N
XLogP14.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.86
LogP ≤ 514.81
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-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 129063512
3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063503
3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063437
3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 158679722
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
3-[7-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063517
3-[4-[7-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063570
3-[3-[2,8-bis(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425272
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442
3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58410373
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063529) is 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cccc23)c1.
What is the InChIKey of 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is JFFUYYGRGPOLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O/c1-2-15-40-38(14-1)37(34-26-29-52-49(31-34)46-18-7-8-25-51(46)57-52)27-28-45(40)42-24-11-22-39-36(21-10-23-41(39)42)33-12-9-13-35(30-33)50-32-55-53-47-19-5-3-16-43(47)44-17-4-6-20-48(44)54(53)56-50/h1-32H.
What are the key properties of 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 724.86 g/mol, XLogP of 14.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).