3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

C54H32N2O — CID 129063442

IUPAC3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3cc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)ccc3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C54H32N2O/c1-3-14-47-44(11-1)45-12-2-4-15-48(45)53-52(47)55-32-50(56-53)42-10-7-9-33(31-42)34-19-20-36-28-37(22-21-35(36)27-34)38-23-24-40-30-41(26-25-39(40)29-38)43-16-8-17-49-46-13-5-6-18-51(46)57-54(43)49/h1-32H
InChIKeyMIKYQSNQJWTWDI-UHFFFAOYSA-N
MW724.86 g/mol
LogP14.81
Rot. Bonds4

About 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063442) has the molecular formula C54H32N2O and a molecular weight of 724.86 g/mol. Its IUPAC name is 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129063442
Molecular FormulaC54H32N2O
Molecular Weight724.86 g/mol
Exact Mass724.25
IUPAC Name3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3cc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)ccc3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C54H32N2O/c1-3-14-47-44(11-1)45-12-2-4-15-48(45)53-52(47)55-32-50(56-53)42-10-7-9-33(31-42)34-19-20-36-28-37(22-21-35(36)27-34)38-23-24-40-30-41(26-25-39(40)29-38)43-16-8-17-49-46-13-5-6-18-51(46)57-54(43)49/h1-32H
InChIKeyMIKYQSNQJWTWDI-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-[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-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063383
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
3-[3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 129063368
3-[3-[3-[3-(3-naphtho[2,3-b][1]benzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 118488096
3-[7-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063365
10-(3-dibenzofuran-4-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 162190524
3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
CID 58410295

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063442) is 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3cc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)ccc3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.
What is the InChIKey of 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is MIKYQSNQJWTWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O/c1-3-14-47-44(11-1)45-12-2-4-15-48(45)53-52(47)55-32-50(56-53)42-10-7-9-33(31-42)34-19-20-36-28-37(22-21-35(36)27-34)38-23-24-40-30-41(26-25-39(40)29-38)43-16-8-17-49-46-13-5-6-18-51(46)57-54(43)49/h1-32H.
What are the key properties of 3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-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-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).