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

C117H72N12O5S — CID 159234531

IUPAC10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/2C39H24N4O2.C39H24N4OS/c1-2-11-25(12-3-1)37-40-38(42-39(41-37)30-15-10-14-29-28-13-4-7-18-33(28)45-36(29)30)26-21-23-27(24-22-26)43-31-16-5-8-19-34(31)44-35-20-9-6-17-32(35)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-34-30(24-27)29-12-4-7-15-33(29)44-34)26-18-21-28(22-19-26)43-31-13-5-8-16-35(31)45-36-17-9-6-14-32(36)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-30(24-27)29-12-4-9-17-35(29)45-36)26-18-21-28(22-19-26)43-31-13-5-7-15-33(31)44-34-16-8-6-14-32(34)43/h3*1-24H
InChIKeyKTHQUTMALLRVCQ-UHFFFAOYSA-N
MW1758.01 g/mol
LogP31.51
Rot. Bonds12

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

10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (PubChem CID 159234531) has the molecular formula C117H72N12O5S and a molecular weight of 1758.01 g/mol. Its IUPAC name is 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
PubChem CID159234531
Molecular FormulaC117H72N12O5S
Molecular Weight1758.01 g/mol
Exact Mass1756.55
IUPAC Name10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/2C39H24N4O2.C39H24N4OS/c1-2-11-25(12-3-1)37-40-38(42-39(41-37)30-15-10-14-29-28-13-4-7-18-33(28)45-36(29)30)26-21-23-27(24-22-26)43-31-16-5-8-19-34(31)44-35-20-9-6-17-32(35)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-34-30(24-27)29-12-4-7-15-33(29)44-34)26-18-21-28(22-19-26)43-31-13-5-8-16-35(31)45-36-17-9-6-14-32(36)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-30(24-27)29-12-4-9-17-35(29)45-36)26-18-21-28(22-19-26)43-31-13-5-7-15-33(31)44-34-16-8-6-14-32(34)43/h3*1-24H
InChIKeyKTHQUTMALLRVCQ-UHFFFAOYSA-N
XLogP31.51
TPSA179.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001758.01
LogP ≤ 531.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Related Compounds

2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160893267
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 142427413
12-[4-(4-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 155788914
2-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952912
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 159018235
9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 166952650
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 157361381
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (CID 159234531) is 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The InChIKey is KTHQUTMALLRVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H24N4O2.C39H24N4OS/c1-2-11-25(12-3-1)37-40-38(42-39(41-37)30-15-10-14-29-28-13-4-7-18-33(28)45-36(29)30)26-21-23-27(24-22-26)43-31-16-5-8-19-34(31)44-35-20-9-6-17-32(35)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-34-30(24-27)29-12-4-7-15-33(29)44-34)26-18-21-28(22-19-26)43-31-13-5-8-16-35(31)45-36-17-9-6-14-32(36)43;1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-30(24-27)29-12-4-9-17-35(29)45-36)26-18-21-28(22-19-26)43-31-13-5-7-15-33(31)44-34-16-8-6-14-32(34)43/h3*1-24H.
What are the key properties of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine has a molecular weight of 1758.01 g/mol, XLogP of 31.51, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 159234531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).