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'}

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Related Compounds

2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
[4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenyl]methanol
CID 162475875
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
CID 1309066
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol
CID 177047062
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine
CID 22166291
3,6-bis[3-(4-methoxyphenyl)quinoxalin-2-yl]-9-phenylcarbazole
CID 101405033

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).