2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole

C40H24N4O — CID 163651381

IUPAC2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cn6)cc5c4c3o2)cc1
InChIInChI=1S/C40H24N4O/c1-3-9-27(10-4-1)37-38(43-34-14-8-7-13-33(34)42-37)30-20-21-32(41-24-30)29-18-16-25-15-17-26-19-22-35-39(36(26)31(25)23-29)45-40(44-35)28-11-5-2-6-12-28/h1-24H
InChIKeyVMCBGUOAMLJLFJ-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

About 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole

2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole (PubChem CID 163651381) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole
PubChem CID163651381
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cn6)cc5c4c3o2)cc1
InChIInChI=1S/C40H24N4O/c1-3-9-27(10-4-1)37-38(43-34-14-8-7-13-33(34)42-37)30-20-21-32(41-24-30)29-18-16-25-15-17-26-19-22-35-39(36(26)31(25)23-29)45-40(44-35)28-11-5-2-6-12-28/h1-24H
InChIKeyVMCBGUOAMLJLFJ-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole (CID 163651381) is 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cn6)cc5c4c3o2)cc1.
What is the InChIKey of 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole?
The InChIKey is VMCBGUOAMLJLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-9-27(10-4-1)37-38(43-34-14-8-7-13-33(34)42-37)30-20-21-32(41-24-30)29-18-16-25-15-17-26-19-22-35-39(36(26)31(25)23-29)45-40(44-35)28-11-5-2-6-12-28/h1-24H.
What are the key properties of 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole?
2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 163651381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).