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

C50H30N2O — CID 129063662

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

10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129063662) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 129063662
• Molecular Formula: C50H30N2O
• Molecular Weight: 674.80 g/mol
• Exact Mass: 674.24
• IUPAC Name: 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: c1cc(-c2cccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)c2)cc(-c2ccc3cc(-c4cccc5c4oc4ccccc45)ccc3c2)c1
• InChI: InChI=1S/C50H30N2O/c1-2-14-43-41(12-1)46-30-38(22-23-44(46)49-48(43)51-24-25-52-49)34-11-6-9-32(27-34)31-8-5-10-33(26-31)35-18-19-37-29-39(21-20-36(37)28-35)40-15-7-16-45-42-13-3-4-17-47(42)53-50(40)45/h1-30H
• InChIKey: ZPNQVNHKGJMTAG-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.80
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129063662) is 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2cccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)c2)cc(-c2ccc3cc(-c4cccc5c4oc4ccccc45)ccc3c2)c1.

What is the InChIKey of 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is ZPNQVNHKGJMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-14-43-41(12-1)46-30-38(22-23-44(46)49-48(43)51-24-25-52-49)34-11-6-9-32(27-34)31-8-5-10-33(26-31)35-18-19-37-29-39(21-20-36(37)28-35)40-15-7-16-45-42-13-3-4-17-47(42)53-50(40)45/h1-30H.

What are the key properties of 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-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 10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).