3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine

C45H28N4OS — CID 118528302

IUPAC3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Oc5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)n2)cc1
InChIInChI=1S/C45H28N4OS/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)31-19-23-34(24-20-31)49-37-16-8-9-17-39(37)50-40-28-33(21-25-38(40)49)32-22-26-42-36(27-32)35-15-7-10-18-41(35)51-42/h1-28H
InChIKeyLARVCFMEBJUVFW-UHFFFAOYSA-N
MW672.81 g/mol
LogP12.48
Rot. Bonds5

About 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine

3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (PubChem CID 118528302) has the molecular formula C45H28N4OS and a molecular weight of 672.81 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
PubChem CID118528302
Molecular FormulaC45H28N4OS
Molecular Weight672.81 g/mol
Exact Mass672.20
IUPAC Name3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Oc5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)n2)cc1
InChIInChI=1S/C45H28N4OS/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)31-19-23-34(24-20-31)49-37-16-8-9-17-39(37)50-40-28-33(21-25-38(40)49)32-22-26-42-36(27-32)35-15-7-10-18-41(35)51-42/h1-28H
InChIKeyLARVCFMEBJUVFW-UHFFFAOYSA-N
XLogP12.48
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.81
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine with MolForge

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Related Compounds

29-[4-(4-Fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-methoxy-22,22-dimethyl-33-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140936018
24-[4-(4-Fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene
CID 140936030
29-[4-(4-Fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-methoxy-22,22-diphenyl-33-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140936032
24-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
CID 163495892
29-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]-22-oxa-33-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 163764800
29-[4-Methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-22-oxa-33-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 158109398
24-[4-Methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
CID 158109401
3-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine
CID 71007165
3-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine
CID 71007169
15-(4,6-Diphenyl-1,3,5-triazin-2-yl)-7-oxa-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaene
CID 71023240
4-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-13-oxa-5-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),3,8(20),9,11,14,16,18-octaene
CID 71023307
10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenoxazine
CID 90335786

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The IUPAC name of 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (CID 118528302) is 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Oc5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)n2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The InChIKey is LARVCFMEBJUVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4OS/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)31-19-23-34(24-20-31)49-37-16-8-9-17-39(37)50-40-28-33(21-25-38(40)49)32-22-26-42-36(27-32)35-15-7-10-18-41(35)51-42/h1-28H.
What are the key properties of 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine has a molecular weight of 672.81 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118528302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).