[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane

C46H31N3O2Si — CID 153422021

IUPAC[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c3oc3nccnc34)cc2)cc1
InChIInChI=1S/C46H31N3O2Si/c1-4-14-34(15-5-1)52(35-16-6-2-7-17-35,36-18-8-3-9-19-36)37-26-24-32(25-27-37)38-30-33(31-39-44-46(51-45(38)39)48-29-28-47-44)49-40-20-10-12-22-42(40)50-43-23-13-11-21-41(43)49/h1-31H
InChIKeyLNFBSPJISMCDHE-UHFFFAOYSA-N
MW685.86 g/mol
LogP9.00
Rot. Bonds6

About [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane

[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane (PubChem CID 153422021) has the molecular formula C46H31N3O2Si and a molecular weight of 685.86 g/mol. Its IUPAC name is [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
PubChem CID153422021
Molecular FormulaC46H31N3O2Si
Molecular Weight685.86 g/mol
Exact Mass685.22
IUPAC Name[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c3oc3nccnc34)cc2)cc1
InChIInChI=1S/C46H31N3O2Si/c1-4-14-34(15-5-1)52(35-16-6-2-7-17-35,36-18-8-3-9-19-36)37-26-24-32(25-27-37)38-30-33(31-39-44-46(51-45(38)39)48-29-28-47-44)49-40-20-10-12-22-42(40)50-43-23-13-11-21-41(43)49/h1-31H
InChIKeyLNFBSPJISMCDHE-UHFFFAOYSA-N
XLogP9.00
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.86
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-(8-carbazol-9-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
CID 153422019
[4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane
CID 147153279
10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
CID 134351385
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
CID 130353987
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 137473462
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine
CID 130354404

Frequently Asked Questions

What is the IUPAC name of [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
The IUPAC name of [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane (CID 153422021) is [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
The canonical SMILES for [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(N4c5ccccc5Oc5ccccc54)cc4c3oc3nccnc34)cc2)cc1.
What is the InChIKey of [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
The InChIKey is LNFBSPJISMCDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O2Si/c1-4-14-34(15-5-1)52(35-16-6-2-7-17-35,36-18-8-3-9-19-36)37-26-24-32(25-27-37)38-30-33(31-39-44-46(51-45(38)39)48-29-28-47-44)49-40-20-10-12-22-42(40)50-43-23-13-11-21-41(43)49/h1-31H.
What are the key properties of [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane?
[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane has a molecular weight of 685.86 g/mol, XLogP of 9.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 153422021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).