6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine

C34H20N2O — CID 176818947

IUPAC6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine
SMILESc1ccc2c(c1)ccc1oc3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)nc4)ccc3c12
InChIInChI=1S/C34H20N2O/c1-2-8-24-21(7-1)15-18-31-33(24)28-16-13-22(19-32(28)37-31)23-14-17-30(35-20-23)34-27-11-4-3-9-25(27)26-10-5-6-12-29(26)36-34/h1-20H
InChIKeyQGSZGVIBUORTIR-UHFFFAOYSA-N
MW472.55 g/mol
LogP9.17
Rot. Bonds2

About 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine

6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine (PubChem CID 176818947) has the molecular formula C34H20N2O and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine.

Molecular Properties

Compound Name6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine
PubChem CID176818947
Molecular FormulaC34H20N2O
Molecular Weight472.55 g/mol
Exact Mass472.16
IUPAC Name6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine
SMILESc1ccc2c(c1)ccc1oc3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)nc4)ccc3c12
InChIInChI=1S/C34H20N2O/c1-2-8-24-21(7-1)15-18-31-33(24)28-16-13-22(19-32(28)37-31)23-14-17-30(35-20-23)34-27-11-4-3-9-25(27)26-10-5-6-12-29(26)36-34/h1-20H
InChIKeyQGSZGVIBUORTIR-UHFFFAOYSA-N
XLogP9.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 59.17
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

6-(5-dibenzofuran-2-yl-2-pyridinyl)phenanthridine
CID 176818950
6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine
CID 176818864
6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine
CID 176819030
2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049914
6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819218
6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819149
5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 149259214
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819205
9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59137038
9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136995
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899

Frequently Asked Questions

What is the IUPAC name of 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine?
The IUPAC name of 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine (CID 176818947) is 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine.
What is the SMILES notation for 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine?
The canonical SMILES for 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine is c1ccc2c(c1)ccc1oc3cc(-c4ccc(-c5nc6ccccc6c6ccccc56)nc4)ccc3c12.
What is the InChIKey of 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine?
The InChIKey is QGSZGVIBUORTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O/c1-2-8-24-21(7-1)15-18-31-33(24)28-16-13-22(19-32(28)37-31)23-14-17-30(35-20-23)34-27-11-4-3-9-25(27)26-10-5-6-12-29(26)36-34/h1-20H.
What are the key properties of 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine?
6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine has a molecular weight of 472.55 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine is sourced from PubChem (CID 176818947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).