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

C45H28N4OS — CID 118528475

IUPAC10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C45H28N4OS/c1-2-11-30(12-3-1)43-46-44(31-23-21-29(22-24-31)34-14-10-15-36-35-13-4-7-18-39(35)50-42(34)36)48-45(47-43)32-25-27-33(28-26-32)49-37-16-5-8-19-40(37)51-41-20-9-6-17-38(41)49/h1-28H
InChIKeyGONXUJMVJNGSTK-UHFFFAOYSA-N
MW672.81 g/mol
LogP12.37
Rot. Bonds5

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

10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine (PubChem CID 118528475) has the molecular formula C45H28N4OS and a molecular weight of 672.81 g/mol. Its IUPAC name is 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
PubChem CID118528475
Molecular FormulaC45H28N4OS
Molecular Weight672.81 g/mol
Exact Mass672.20
IUPAC Name10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C45H28N4OS/c1-2-11-30(12-3-1)43-46-44(31-23-21-29(22-24-31)34-14-10-15-36-35-13-4-7-18-39(35)50-42(34)36)48-45(47-43)32-25-27-33(28-26-32)49-37-16-5-8-19-40(37)51-41-20-9-6-17-38(41)49/h1-28H
InChIKeyGONXUJMVJNGSTK-UHFFFAOYSA-N
XLogP12.37
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.81
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
CID 146533985
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-1'-yl-1,3,5-triazine
CID 166737827
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
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
8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine
CID 138564686
16-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-8-thia-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15,17,19-decaene
CID 176627562
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
The IUPAC name of 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine (CID 118528475) is 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
The canonical SMILES for 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
The InChIKey is GONXUJMVJNGSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4OS/c1-2-11-30(12-3-1)43-46-44(31-23-21-29(22-24-31)34-14-10-15-36-35-13-4-7-18-39(35)50-42(34)36)48-45(47-43)32-25-27-33(28-26-32)49-37-16-5-8-19-40(37)51-41-20-9-6-17-38(41)49/h1-28H.
What are the key properties of 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine?
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine has a molecular weight of 672.81 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine is sourced from PubChem (CID 118528475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).