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

C50H30N2O — CID 129063656

IUPAC10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)cc(-c2cccc3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc23)c1
InChIInChI=1S/C50H30N2O/c1-2-13-43-41(11-1)46-30-34(25-26-44(46)49-48(43)51-27-28-52-49)33-9-5-10-35(29-33)37-15-7-17-39-36(14-6-18-40(37)39)31-21-23-32(24-22-31)38-16-8-19-45-42-12-3-4-20-47(42)53-50(38)45/h1-30H
InChIKeySXSKUNJPDIEBFE-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.66
Rot. Bonds4

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

10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063656) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129063656
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)cc(-c2cccc3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc23)c1
InChIInChI=1S/C50H30N2O/c1-2-13-43-41(11-1)46-30-34(25-26-44(46)49-48(43)51-27-28-52-49)33-9-5-10-35(29-33)37-15-7-17-39-36(14-6-18-40(37)39)31-21-23-32(24-22-31)38-16-8-19-45-42-12-3-4-20-47(42)53-50(38)45/h1-30H
InChIKeySXSKUNJPDIEBFE-UHFFFAOYSA-N
XLogP13.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 513.66
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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Frequently Asked Questions

What is the IUPAC name of 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063656) is 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)cc(-c2cccc3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc23)c1.
What is the InChIKey of 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is SXSKUNJPDIEBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-13-43-41(11-1)46-30-34(25-26-44(46)49-48(43)51-27-28-52-49)33-9-5-10-35(29-33)37-15-7-17-39-36(14-6-18-40(37)39)31-21-23-32(24-22-31)38-16-8-19-45-42-12-3-4-20-47(42)53-50(38)45/h1-30H.
What are the key properties of 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 674.80 g/mol, XLogP of 13.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[5-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).