2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane

C31H26N2O2 — CID 145053980

IUPAC2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
SMILESC.COc1ccc(-c2nc3cc4cc5ccccc5cc4cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H22N2O2.CH4/c1-33-25-11-7-19(8-12-25)29-30(20-9-13-26(34-2)14-10-20)32-28-18-24-16-22-6-4-3-5-21(22)15-23(24)17-27(28)31-29;/h3-18H,1-2H3;1H4
InChIKeyJVCBKIOSVFFFJZ-UHFFFAOYSA-N
MW458.56 g/mol
LogP7.92
Rot. Bonds4

About 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane

2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane (PubChem CID 145053980) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
PubChem CID145053980
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
SMILESC.COc1ccc(-c2nc3cc4cc5ccccc5cc4cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H22N2O2.CH4/c1-33-25-11-7-19(8-12-25)29-30(20-9-13-26(34-2)14-10-20)32-28-18-24-16-22-6-4-3-5-21(22)15-23(24)17-27(28)31-29;/h3-18H,1-2H3;1H4
InChIKeyJVCBKIOSVFFFJZ-UHFFFAOYSA-N
XLogP7.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane?
The IUPAC name of 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane (CID 145053980) is 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane is C.COc1ccc(-c2nc3cc4cc5ccccc5cc4cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane?
The InChIKey is JVCBKIOSVFFFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2.CH4/c1-33-25-11-7-19(8-12-25)29-30(20-9-13-26(34-2)14-10-20)32-28-18-24-16-22-6-4-3-5-21(22)15-23(24)17-27(28)31-29;/h3-18H,1-2H3;1H4.
What are the key properties of 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane?
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane has a molecular weight of 458.56 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane is sourced from PubChem (CID 145053980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).