10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine

C124H79N17OS3 — CID 159949835

IUPAC10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C43H28N6S.C42H27N7S.C39H24N4OS/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49;1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)49;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/h1-28H;1-27H;1-24H
InChIKeyOBYSEXLVKOULBP-UHFFFAOYSA-N
MW1919.31 g/mol
LogP31.96
Rot. Bonds16

About 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine

10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine (PubChem CID 159949835) has the molecular formula C124H79N17OS3 and a molecular weight of 1919.31 g/mol. Its IUPAC name is 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
PubChem CID159949835
Molecular FormulaC124H79N17OS3
Molecular Weight1919.31 g/mol
Exact Mass1917.58
IUPAC Name10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C43H28N6S.C42H27N7S.C39H24N4OS/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49;1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)49;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/h1-28H;1-27H;1-24H
InChIKeyOBYSEXLVKOULBP-UHFFFAOYSA-N
XLogP31.96
TPSA203.32 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001919.31
LogP ≤ 531.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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

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Related Compounds

3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
CID 147850677
10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 158949538
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylnaphthalen-1-yl]phenothiazine
CID 129290643
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-2,6-diphenylpyrimidine
CID 153121371
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-2,6-diphenylpyrimidine
CID 154600192
3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
CID 71003998

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
The IUPAC name of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine (CID 159949835) is 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
The canonical SMILES for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)n3)n2)cc1.
What is the InChIKey of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
The InChIKey is OBYSEXLVKOULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6S.C42H27N7S.C39H24N4OS/c1-4-14-29(15-5-1)34-28-35(30-16-6-2-7-17-30)45-42(44-34)43-47-40(31-18-8-3-9-19-31)46-41(48-43)32-24-26-33(27-25-32)49-36-20-10-12-22-38(36)50-39-23-13-11-21-37(39)49;1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)49;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/h1-28H;1-27H;1-24H.
What are the key properties of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine has a molecular weight of 1919.31 g/mol, XLogP of 31.96, 16 rotatable bonds, 0 hydrogen bond donors, and 21 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]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine is sourced from PubChem (CID 159949835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).