5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane

C114H100N12O7Si2+6 — CID 157381821

IUPAC5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane
SMILESC[Si](C)(C)c1c2c(cc3ccccc13)N=[N+](c1ccccc1)CO2.C[Si](C)(C)c1cc2ccccc2c2c1OC[N+](c1ccccc1)=N2.Cc1cc2ccccc2c2c1OC[N+](c1ccccc1)=N2.O=C1c2ccccc2-c2c1ccc1c2OC[N+](c2ccccc2)=N1.c1ccc([N+]2=Nc3cc4c(cc3OC2)CCC4)cc1.c1ccc([N+]2=Nc3ccc4c(c3OC2)-c2ccccc2C4)cc1
InChIInChI=1S/C20H13N2O2.2C20H21N2OSi.C20H15N2O.C18H15N2O.C16H15N2O/c23-19-15-9-5-4-8-14(15)18-16(19)10-11-17-20(18)24-12-22(21-17)13-6-2-1-3-7-13;1-24(2,3)20-17-12-8-7-9-15(17)13-18-19(20)23-14-22(21-18)16-10-5-4-6-11-16;1-24(2,3)18-13-15-9-7-8-12-17(15)19-20(18)23-14-22(21-19)16-10-5-4-6-11-16;1-2-7-16(8-3-1)22-13-23-20-18(21-22)11-10-15-12-14-6-4-5-9-17(14)19(15)20;1-13-11-14-7-5-6-10-16(14)17-18(13)21-12-20(19-17)15-8-3-2-4-9-15;1-2-7-14(8-3-1)18-11-19-16-10-13-6-4-5-12(13)9-15(16)17-18/h1-11H,12H2;2*4-13H,14H2,1-3H3;1-11H,12-13H2;2-11H,12H2,1H3;1-3,7-10H,4-6,11H2/q6*+1
InChIKeyURTRMHJZFCDCMS-UHFFFAOYSA-N
MW1806.30 g/mol
LogP28.92
Rot. Bonds8

About 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane

5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane (PubChem CID 157381821) has the molecular formula C114H100N12O7Si2+6 and a molecular weight of 1806.30 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane.

Molecular Properties

Compound Name5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane
PubChem CID157381821
Molecular FormulaC114H100N12O7Si2+6
Molecular Weight1806.30 g/mol
Exact Mass1804.73
IUPAC Name5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane
SMILESC[Si](C)(C)c1c2c(cc3ccccc13)N=[N+](c1ccccc1)CO2.C[Si](C)(C)c1cc2ccccc2c2c1OC[N+](c1ccccc1)=N2.Cc1cc2ccccc2c2c1OC[N+](c1ccccc1)=N2.O=C1c2ccccc2-c2c1ccc1c2OC[N+](c2ccccc2)=N1.c1ccc([N+]2=Nc3cc4c(cc3OC2)CCC4)cc1.c1ccc([N+]2=Nc3ccc4c(c3OC2)-c2ccccc2C4)cc1
InChIInChI=1S/C20H13N2O2.2C20H21N2OSi.C20H15N2O.C18H15N2O.C16H15N2O/c23-19-15-9-5-4-8-14(15)18-16(19)10-11-17-20(18)24-12-22(21-17)13-6-2-1-3-7-13;1-24(2,3)20-17-12-8-7-9-15(17)13-18-19(20)23-14-22(21-18)16-10-5-4-6-11-16;1-24(2,3)18-13-15-9-7-8-12-17(15)19-20(18)23-14-22(21-19)16-10-5-4-6-11-16;1-2-7-16(8-3-1)22-13-23-20-18(21-22)11-10-15-12-14-6-4-5-9-17(14)19(15)20;1-13-11-14-7-5-6-10-16(14)17-18(13)21-12-20(19-17)15-8-3-2-4-9-15;1-2-7-14(8-3-1)18-11-19-16-10-13-6-4-5-12(13)9-15(16)17-18/h1-11H,12H2;2*4-13H,14H2,1-3H3;1-11H,12-13H2;2-11H,12H2,1H3;1-3,7-10H,4-6,11H2/q6*+1
InChIKeyURTRMHJZFCDCMS-UHFFFAOYSA-N
XLogP28.92
TPSA164.67 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.30
LogP ≤ 528.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane with MolForge

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Related Compounds

2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium
CID 20784127
10,10-dimethyl-3-phenyl-2,7,8,9-tetrahydrobenzo[h][1,3]benzoxazin-3-ium;3,10-diphenyl-2H-benzo[g][1,3]benzoxazin-3-ium;10-methyl-3-phenyl-2H-benzo[g][1,3]benzoxazin-3-ium;3-phenyl-2H-benzo[h][1,3]benzoxazin-3-ium;3-phenyl-2H-indeno[2,1-h][1,3]benzoxazin-3-ium-7-one
CID 91404263
6-methylbenzo[a]anthracene-7,12-dione
CID 12934886
5H-anthra[1,2-c]diazet-10-one
CID 175765488
29-azaheptacyclo[15.12.0.02,14.03,11.04,9.019,28.020,25]nonacosa-1(29),2(14),3(11),4,6,8,12,17,19(28),20,22,24,26-tridecaen-10-one
CID 71813593
5-methylacenaphthylene-1,2-dione;6-methyl-2H-acenaphthylen-1-one;4-methyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 158945821
N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide
CID 91256842
1,4-dimethylanthracene-9,10-dione;1,2,3,4-tetrahydrochrysene
CID 174595165
4-chloro-2-methyl-9H-fluorene
CID 19800357
1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
CID 165012319
6-triethylsilylbenzo[c]fluoren-7-one
CID 11484728
1,2-diphenoxy-10H-anthracen-9-one
CID 23283730

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane?
The IUPAC name of 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane (CID 157381821) is 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane.
What is the SMILES notation for 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane?
The canonical SMILES for 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane is C[Si](C)(C)c1c2c(cc3ccccc13)N=[N+](c1ccccc1)CO2.C[Si](C)(C)c1cc2ccccc2c2c1OC[N+](c1ccccc1)=N2.Cc1cc2ccccc2c2c1OC[N+](c1ccccc1)=N2.O=C1c2ccccc2-c2c1ccc1c2OC[N+](c2ccccc2)=N1.c1ccc([N+]2=Nc3cc4c(cc3OC2)CCC4)cc1.c1ccc([N+]2=Nc3ccc4c(c3OC2)-c2ccccc2C4)cc1.
What is the InChIKey of 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane?
The InChIKey is URTRMHJZFCDCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N2O2.2C20H21N2OSi.C20H15N2O.C18H15N2O.C16H15N2O/c23-19-15-9-5-4-8-14(15)18-16(19)10-11-17-20(18)24-12-22(21-17)13-6-2-1-3-7-13;1-24(2,3)20-17-12-8-7-9-15(17)13-18-19(20)23-14-22(21-18)16-10-5-4-6-11-16;1-24(2,3)18-13-15-9-7-8-12-17(15)19-20(18)23-14-22(21-19)16-10-5-4-6-11-16;1-2-7-16(8-3-1)22-13-23-20-18(21-22)11-10-15-12-14-6-4-5-9-17(14)19(15)20;1-13-11-14-7-5-6-10-16(14)17-18(13)21-12-20(19-17)15-8-3-2-4-9-15;1-2-7-14(8-3-1)18-11-19-16-10-13-6-4-5-12(13)9-15(16)17-18/h1-11H,12H2;2*4-13H,14H2,1-3H3;1-11H,12-13H2;2-11H,12H2,1H3;1-3,7-10H,4-6,11H2/q6*+1.
What are the key properties of 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane?
5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane has a molecular weight of 1806.30 g/mol, XLogP of 28.92, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium;3-phenyl-2,7-dihydroindeno[1,2-f][4,1,2]benzoxadiazin-3-ium;3-phenyl-2H-indeno[1,2-f][4,1,2]benzoxadiazin-3-ium-7-one;2-phenyl-3,6,7,8-tetrahydrocyclopenta[g][4,1,2]benzoxadiazin-2-ium;trimethyl-(2-phenyl-3H-benzo[g][4,1,2]benzoxadiazin-2-ium-5-yl)silane;trimethyl-(2-phenyl-3H-benzo[h][4,1,2]benzoxadiazin-2-ium-5-yl)silane is sourced from PubChem (CID 157381821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).