10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine

C134H91N13O2S3 — CID 158999619

IUPAC10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)c2ccccc21.c1ccc(-c2cccc(-c3cc(N4c5ccccc5Sc5ccccc54)cc(N4c5ccccc5Sc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C48H35N5O.C45H29N5OS.C41H27N3S2/c1-48(2)37-16-6-8-18-39(37)52(40-19-9-7-17-38(40)48)35-28-24-33(25-29-35)46-49-45(32-14-4-3-5-15-32)50-47(51-46)34-26-30-36(31-27-34)53-41-20-10-12-22-43(41)54-44-23-13-11-21-42(44)53;1-2-12-30(13-3-1)43-46-44(31-22-26-33(27-23-31)49-35-14-4-8-18-39(35)51-40-19-9-5-15-36(40)49)48-45(47-43)32-24-28-34(29-25-32)50-37-16-6-10-20-41(37)52-42-21-11-7-17-38(42)50;1-2-13-28(14-3-1)32-15-12-16-33(42-32)29-25-30(43-34-17-4-8-21-38(34)45-39-22-9-5-18-35(39)43)27-31(26-29)44-36-19-6-10-23-40(36)46-41-24-11-7-20-37(41)44/h3-31H,1-2H3;1-29H;1-27H
InChIKeyJREJDMSKVDDQJU-UHFFFAOYSA-N
MW2011.49 g/mol
LogP37.22
Rot. Bonds14

About 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine (PubChem CID 158999619) has the molecular formula C134H91N13O2S3 and a molecular weight of 2011.49 g/mol. Its IUPAC name is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
PubChem CID158999619
Molecular FormulaC134H91N13O2S3
Molecular Weight2011.49 g/mol
Exact Mass2009.66
IUPAC Name10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)c2ccccc21.c1ccc(-c2cccc(-c3cc(N4c5ccccc5Sc5ccccc54)cc(N4c5ccccc5Sc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C48H35N5O.C45H29N5OS.C41H27N3S2/c1-48(2)37-16-6-8-18-39(37)52(40-19-9-7-17-38(40)48)35-28-24-33(25-29-35)46-49-45(32-14-4-3-5-15-32)50-47(51-46)34-26-30-36(31-27-34)53-41-20-10-12-22-43(41)54-44-23-13-11-21-42(44)53;1-2-12-30(13-3-1)43-46-44(31-22-26-33(27-23-31)49-35-14-4-8-18-39(35)51-40-19-9-5-15-36(40)49)48-45(47-43)32-24-28-34(29-25-32)50-37-16-6-10-20-41(37)52-42-21-11-7-17-38(42)50;1-2-13-28(14-3-1)32-15-12-16-33(42-32)29-25-30(43-34-17-4-8-21-38(34)45-39-22-9-5-18-35(39)43)27-31(26-29)44-36-19-6-10-23-40(36)46-41-24-11-7-20-37(41)44/h3-31H,1-2H3;1-29H;1-27H
InChIKeyJREJDMSKVDDQJU-UHFFFAOYSA-N
XLogP37.22
TPSA128.13 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.49
LogP ≤ 537.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine with MolForge

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Related Compounds

10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 159416067
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158328207
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
10-[8-(2,6-diphenyl-4-pyridinyl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethyl-10-phenylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenothiazine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenoxazine;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10-phenylphenoxazine
CID 158258534
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528525

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine?
The IUPAC name of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine (CID 158999619) is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine.
What is the SMILES notation for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine?
The canonical SMILES for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine is CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc2)c2ccccc21.c1ccc(-c2cccc(-c3cc(N4c5ccccc5Sc5ccccc54)cc(N4c5ccccc5Sc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine?
The InChIKey is JREJDMSKVDDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N5O.C45H29N5OS.C41H27N3S2/c1-48(2)37-16-6-8-18-39(37)52(40-19-9-7-17-38(40)48)35-28-24-33(25-29-35)46-49-45(32-14-4-3-5-15-32)50-47(51-46)34-26-30-36(31-27-34)53-41-20-10-12-22-43(41)54-44-23-13-11-21-42(44)53;1-2-12-30(13-3-1)43-46-44(31-22-26-33(27-23-31)49-35-14-4-8-18-39(35)51-40-19-9-5-15-36(40)49)48-45(47-43)32-24-28-34(29-25-32)50-37-16-6-10-20-41(37)52-42-21-11-7-17-38(42)50;1-2-13-28(14-3-1)32-15-12-16-33(42-32)29-25-30(43-34-17-4-8-21-38(34)45-39-22-9-5-18-35(39)43)27-31(26-29)44-36-19-6-10-23-40(36)46-41-24-11-7-20-37(41)44/h3-31H,1-2H3;1-29H;1-27H.
What are the key properties of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine?
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine has a molecular weight of 2011.49 g/mol, XLogP of 37.22, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine is sourced from PubChem (CID 158999619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).