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

C58H34N2O — CID 129063512

IUPAC3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)oc1ccc(-c3cccc4c(-c5cccc6c(-c7cccc8c(-c9cnc%10c%11ccccc%11c%11ccccc%11c%10n9)cccc78)cccc56)cccc34)cc12
InChIInChI=1S/C58H34N2O/c1-3-16-51-47(13-1)48-14-2-4-17-52(48)58-57(51)59-34-54(60-58)49-29-12-27-45-44(26-11-28-46(45)49)43-25-10-23-41-40(22-9-24-42(41)43)39-21-8-19-37-36(18-7-20-38(37)39)35-31-32-56-53(33-35)50-15-5-6-30-55(50)61-56/h1-34H
InChIKeyASSRLKGWHPRFQA-UHFFFAOYSA-N
MW774.92 g/mol
LogP15.96
Rot. Bonds4

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

3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine (PubChem CID 129063512) has the molecular formula C58H34N2O and a molecular weight of 774.92 g/mol. Its IUPAC name is 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
PubChem CID129063512
Molecular FormulaC58H34N2O
Molecular Weight774.92 g/mol
Exact Mass774.27
IUPAC Name3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)oc1ccc(-c3cccc4c(-c5cccc6c(-c7cccc8c(-c9cnc%10c%11ccccc%11c%11ccccc%11c%10n9)cccc78)cccc56)cccc34)cc12
InChIInChI=1S/C58H34N2O/c1-3-16-51-47(13-1)48-14-2-4-17-52(48)58-57(51)59-34-54(60-58)49-29-12-27-45-44(26-11-28-46(45)49)43-25-10-23-41-40(22-9-24-42(41)43)39-21-8-19-37-36(18-7-20-38(37)39)35-31-32-56-53(33-35)50-15-5-6-30-55(50)61-56/h1-34H
InChIKeyASSRLKGWHPRFQA-UHFFFAOYSA-N
XLogP15.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.92
LogP ≤ 515.96
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-[5-(4-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063529
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
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
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
3-[2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063383
3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58410373
3-[4-[7-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063570
3-[7-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063517
3-[3-[2,8-bis(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425272
3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425358
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine (CID 129063512) is 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine is c1ccc2c(c1)oc1ccc(-c3cccc4c(-c5cccc6c(-c7cccc8c(-c9cnc%10c%11ccccc%11c%11ccccc%11c%10n9)cccc78)cccc56)cccc34)cc12.
What is the InChIKey of 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
The InChIKey is ASSRLKGWHPRFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O/c1-3-16-51-47(13-1)48-14-2-4-17-52(48)58-57(51)59-34-54(60-58)49-29-12-27-45-44(26-11-28-46(45)49)43-25-10-23-41-40(22-9-24-42(41)43)39-21-8-19-37-36(18-7-20-38(37)39)35-31-32-56-53(33-35)50-15-5-6-30-55(50)61-56/h1-34H.
What are the key properties of 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 774.92 g/mol, XLogP of 15.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).