6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

C50H30N2O — CID 129063531

IUPAC6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)cc2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1
InChIInChI=1S/C50H30N2O/c1-2-12-38-37(11-1)36(25-26-40(38)44-16-8-17-45-42-14-5-6-18-47(42)53-50(44)45)32-21-19-31(20-22-32)33-9-7-10-34(29-33)35-23-24-41-39-13-3-4-15-43(39)48-49(46(41)30-35)52-28-27-51-48/h1-30H
InChIKeyCLYASIQTCCVOGO-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.66
Rot. Bonds4

About 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063531) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129063531
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)cc2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1
InChIInChI=1S/C50H30N2O/c1-2-12-38-37(11-1)36(25-26-40(38)44-16-8-17-45-42-14-5-6-18-47(42)53-50(44)45)32-21-19-31(20-22-32)33-9-7-10-34(29-33)35-23-24-41-39-13-3-4-15-43(39)48-49(46(41)30-35)52-28-27-51-48/h1-30H
InChIKeyCLYASIQTCCVOGO-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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Related Compounds

10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
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-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063531) is 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)cc2)cc(-c2ccc3c4ccccc4c4nccnc4c3c2)c1.
What is the InChIKey of 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is CLYASIQTCCVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-12-38-37(11-1)36(25-26-40(38)44-16-8-17-45-42-14-5-6-18-47(42)53-50(44)45)32-21-19-31(20-22-32)33-9-7-10-34(29-33)35-23-24-41-39-13-3-4-15-43(39)48-49(46(41)30-35)52-28-27-51-48/h1-30H.
What are the key properties of 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]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 6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).