4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane

C82H86N5O5Si2+5 — CID 91806934

IUPAC4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane
SMILESC[Si](C)(C)c1cccc2c1OC[n+]1c-2cccc1[Si](C)(C)C.Cc1cccc2[n+]1COc1c-2ccc2ccccc12.Cc1cccc2[n+]1COc1c-2cccc1C1C=CC=CC1.Cc1cccc2c1OC[n+]1c(C)cccc1-2.Cc1cccc2c1OC[n+]1c(C)cccc1-2
InChIInChI=1S/C19H18NO.C18H26NOSi2.C17H14NO.2C14H14NO/c1-14-7-5-12-18-17-11-6-10-16(15-8-3-2-4-9-15)19(17)21-13-20(14)18;1-21(2,3)16-11-7-9-14-15-10-8-12-17(22(4,5)6)19(15)13-20-18(14)16;1-12-5-4-8-16-15-10-9-13-6-2-3-7-14(13)17(15)19-11-18(12)16;2*1-10-5-3-7-12-13-8-4-6-11(2)15(13)9-16-14(10)12/h2-8,10-12,15H,9,13H2,1H3;7-12H,13H2,1-6H3;2-10H,11H2,1H3;2*3-8H,9H2,1-2H3/q5*+1
InChIKeyLAUKKSNZFUPOCR-UHFFFAOYSA-N
MW1277.79 g/mol
LogP15.65
Rot. Bonds3

About 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane

4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane (PubChem CID 91806934) has the molecular formula C82H86N5O5Si2+5 and a molecular weight of 1277.79 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane
PubChem CID91806934
Molecular FormulaC82H86N5O5Si2+5
Molecular Weight1277.79 g/mol
Exact Mass1276.61
IUPAC Name4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane
SMILESC[Si](C)(C)c1cccc2c1OC[n+]1c-2cccc1[Si](C)(C)C.Cc1cccc2[n+]1COc1c-2ccc2ccccc12.Cc1cccc2[n+]1COc1c-2cccc1C1C=CC=CC1.Cc1cccc2c1OC[n+]1c(C)cccc1-2.Cc1cccc2c1OC[n+]1c(C)cccc1-2
InChIInChI=1S/C19H18NO.C18H26NOSi2.C17H14NO.2C14H14NO/c1-14-7-5-12-18-17-11-6-10-16(15-8-3-2-4-9-15)19(17)21-13-20(14)18;1-21(2,3)16-11-7-9-14-15-10-8-12-17(22(4,5)6)19(15)13-20-18(14)16;1-12-5-4-8-16-15-10-9-13-6-2-3-7-14(13)17(15)19-11-18(12)16;2*1-10-5-3-7-12-13-8-4-6-11(2)15(13)9-16-14(10)12/h2-8,10-12,15H,9,13H2,1H3;7-12H,13H2,1-6H3;2-10H,11H2,1H3;2*3-8H,9H2,1-2H3/q5*+1
InChIKeyLAUKKSNZFUPOCR-UHFFFAOYSA-N
XLogP15.65
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.79
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane (CID 91806934) is 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane is C[Si](C)(C)c1cccc2c1OC[n+]1c-2cccc1[Si](C)(C)C.Cc1cccc2[n+]1COc1c-2ccc2ccccc12.Cc1cccc2[n+]1COc1c-2cccc1C1C=CC=CC1.Cc1cccc2c1OC[n+]1c(C)cccc1-2.Cc1cccc2c1OC[n+]1c(C)cccc1-2.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane?
The InChIKey is LAUKKSNZFUPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NO.C18H26NOSi2.C17H14NO.2C14H14NO/c1-14-7-5-12-18-17-11-6-10-16(15-8-3-2-4-9-15)19(17)21-13-20(14)18;1-21(2,3)16-11-7-9-14-15-10-8-12-17(22(4,5)6)19(15)13-20-18(14)16;1-12-5-4-8-16-15-10-9-13-6-2-3-7-14(13)17(15)19-11-18(12)16;2*1-10-5-3-7-12-13-8-4-6-11(2)15(13)9-16-14(10)12/h2-8,10-12,15H,9,13H2,1H3;7-12H,13H2,1-6H3;2-10H,11H2,1H3;2*3-8H,9H2,1-2H3/q5*+1.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane?
4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane has a molecular weight of 1277.79 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;bis(4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium);6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane is sourced from PubChem (CID 91806934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).