3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium

C171H140N18O20S+10 — CID 159273933

IUPAC3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
SMILESC1=[N+](c2ccccc2)COc2c1cccc2-c1ccc[nH]1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccccn1.C1=[N+](c2ccccc2)COc2c1cccc2-c1cccnc1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccco1.C1=[N+](c2ccccc2)COc2c1cccc2-c1cccs1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccncc1.Cc1cccc2c1OC[N+](Oc1ccccc1)=C2.Cc1cccc2c1OC[N+](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)=C2.Cc1cccc2c1OC[N+](c1ccc([N+](=O)[O-])cc1)=C2.Cc1cccc2c1OC[N+](c1ccccc1[N+](=O)[O-])=C2
InChIInChI=1S/3C19H15N2O.C18H15N2O.C18H14NO2.C18H14NOS.C15H12N3O5.2C15H13N2O3.C15H14NO2/c1-2-8-17(9-3-1)21-13-16-6-4-10-18(19(16)22-14-21)15-7-5-11-20-12-15;1-2-8-16(9-3-1)21-13-15-7-6-10-17(19(15)22-14-21)18-11-4-5-12-20-18;1-2-6-17(7-3-1)21-13-16-5-4-8-18(19(16)22-14-21)15-9-11-20-12-10-15;1-2-7-15(8-3-1)20-12-14-6-4-9-16(18(14)21-13-20)17-10-5-11-19-17;1-2-7-15(8-3-1)19-12-14-6-4-9-16(18(14)21-13-19)17-10-5-11-20-17;1-2-7-15(8-3-1)19-12-14-6-4-9-16(18(14)20-13-19)17-10-5-11-21-17;1-10-3-2-4-11-8-16(9-23-15(10)11)12-5-13(17(19)20)7-14(6-12)18(21)22;1-11-5-4-6-12-9-16(10-20-15(11)12)13-7-2-3-8-14(13)17(18)19;1-11-3-2-4-12-9-16(10-20-15(11)12)13-5-7-14(8-6-13)17(18)19;1-12-6-5-7-13-10-16(11-17-15(12)13)18-14-8-3-2-4-9-14/h3*1-13H,14H2;1-12,19H,13H2;2*1-12H,13H2;2-8H,9H2,1H3;2*2-9H,10H2,1H3;2-10H,11H2,1H3/q10*+1
InChIKeyYMMPCUZRXYOFTC-UHFFFAOYSA-N
MW2799.17 g/mol
LogP35.69
Rot. Bonds21

About 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium

3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium (PubChem CID 159273933) has the molecular formula C171H140N18O20S+10 and a molecular weight of 2799.17 g/mol. Its IUPAC name is 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium.

Molecular Properties

Compound Name3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
PubChem CID159273933
Molecular FormulaC171H140N18O20S+10
Molecular Weight2799.17 g/mol
Exact Mass2797.02
IUPAC Name3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
SMILESC1=[N+](c2ccccc2)COc2c1cccc2-c1ccc[nH]1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccccn1.C1=[N+](c2ccccc2)COc2c1cccc2-c1cccnc1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccco1.C1=[N+](c2ccccc2)COc2c1cccc2-c1cccs1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccncc1.Cc1cccc2c1OC[N+](Oc1ccccc1)=C2.Cc1cccc2c1OC[N+](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)=C2.Cc1cccc2c1OC[N+](c1ccc([N+](=O)[O-])cc1)=C2.Cc1cccc2c1OC[N+](c1ccccc1[N+](=O)[O-])=C2
InChIInChI=1S/3C19H15N2O.C18H15N2O.C18H14NO2.C18H14NOS.C15H12N3O5.2C15H13N2O3.C15H14NO2/c1-2-8-17(9-3-1)21-13-16-6-4-10-18(19(16)22-14-21)15-7-5-11-20-12-15;1-2-8-16(9-3-1)21-13-15-7-6-10-17(19(15)22-14-21)18-11-4-5-12-20-18;1-2-6-17(7-3-1)21-13-16-5-4-8-18(19(16)22-14-21)15-9-11-20-12-10-15;1-2-7-15(8-3-1)20-12-14-6-4-9-16(18(14)21-13-20)17-10-5-11-19-17;1-2-7-15(8-3-1)19-12-14-6-4-9-16(18(14)21-13-19)17-10-5-11-20-17;1-2-7-15(8-3-1)19-12-14-6-4-9-16(18(14)20-13-19)17-10-5-11-21-17;1-10-3-2-4-11-8-16(9-23-15(10)11)12-5-13(17(19)20)7-14(6-12)18(21)22;1-11-5-4-6-12-9-16(10-20-15(11)12)13-7-2-3-8-14(13)17(18)19;1-11-3-2-4-12-9-16(10-20-15(11)12)13-5-7-14(8-6-13)17(18)19;1-12-6-5-7-13-10-16(11-17-15(12)13)18-14-8-3-2-4-9-14/h3*1-13H,14H2;1-12,19H,13H2;2*1-12H,13H2;2-8H,9H2,1H3;2*2-9H,10H2,1H3;2-10H,11H2,1H3/q10*+1
InChIKeyYMMPCUZRXYOFTC-UHFFFAOYSA-N
XLogP35.69
TPSA371.79 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.17
LogP ≤ 535.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium with MolForge

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Launch Full Analysis

Related Compounds

8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium
CID 91196625
1-[3-(furan-2-yl)-2-methoxyphenyl]-N-phenylmethanimine;8-methyl-3-(3-methyl-5-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
CID 157263356
8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(3-methyl-5-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-methylphenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
CID 158959204
4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
CID 161279114

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium?
The IUPAC name of 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium (CID 159273933) is 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium.
What is the SMILES notation for 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium?
The canonical SMILES for 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium is C1=[N+](c2ccccc2)COc2c1cccc2-c1ccc[nH]1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccccn1.C1=[N+](c2ccccc2)COc2c1cccc2-c1cccnc1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccco1.C1=[N+](c2ccccc2)COc2c1cccc2-c1cccs1.C1=[N+](c2ccccc2)COc2c1cccc2-c1ccncc1.Cc1cccc2c1OC[N+](Oc1ccccc1)=C2.Cc1cccc2c1OC[N+](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)=C2.Cc1cccc2c1OC[N+](c1ccc([N+](=O)[O-])cc1)=C2.Cc1cccc2c1OC[N+](c1ccccc1[N+](=O)[O-])=C2.
What is the InChIKey of 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium?
The InChIKey is YMMPCUZRXYOFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H15N2O.C18H15N2O.C18H14NO2.C18H14NOS.C15H12N3O5.2C15H13N2O3.C15H14NO2/c1-2-8-17(9-3-1)21-13-16-6-4-10-18(19(16)22-14-21)15-7-5-11-20-12-15;1-2-8-16(9-3-1)21-13-15-7-6-10-17(19(15)22-14-21)18-11-4-5-12-20-18;1-2-6-17(7-3-1)21-13-16-5-4-8-18(19(16)22-14-21)15-9-11-20-12-10-15;1-2-7-15(8-3-1)20-12-14-6-4-9-16(18(14)21-13-20)17-10-5-11-19-17;1-2-7-15(8-3-1)19-12-14-6-4-9-16(18(14)21-13-19)17-10-5-11-20-17;1-2-7-15(8-3-1)19-12-14-6-4-9-16(18(14)20-13-19)17-10-5-11-21-17;1-10-3-2-4-11-8-16(9-23-15(10)11)12-5-13(17(19)20)7-14(6-12)18(21)22;1-11-5-4-6-12-9-16(10-20-15(11)12)13-7-2-3-8-14(13)17(18)19;1-11-3-2-4-12-9-16(10-20-15(11)12)13-5-7-14(8-6-13)17(18)19;1-12-6-5-7-13-10-16(11-17-15(12)13)18-14-8-3-2-4-9-14/h3*1-13H,14H2;1-12,19H,13H2;2*1-12H,13H2;2-8H,9H2,1H3;2*2-9H,10H2,1H3;2-10H,11H2,1H3/q10*+1.
What are the key properties of 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium?
3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium has a molecular weight of 2799.17 g/mol, XLogP of 35.69, 21 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dinitrophenyl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(2-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-(4-nitrophenyl)-2H-1,3-benzoxazin-3-ium;8-methyl-3-phenoxy-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-3-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-4-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium is sourced from PubChem (CID 159273933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).