10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine

C39H27NOS2 — CID 134175831

IUPAC10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine
SMILESCC1(C)c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc3c(c21)Sc1ccccc1S3
InChIInChI=1S/C39H27NOS2/c1-39(2)29-23-25(17-20-27(29)28-21-22-36-38(37(28)39)43-35-14-8-7-13-34(35)42-36)24-15-18-26(19-16-24)40-30-9-3-5-11-32(30)41-33-12-6-4-10-31(33)40/h3-23H,1-2H3
InChIKeyVRLDXNOFFKXFTF-UHFFFAOYSA-N
MW589.79 g/mol
LogP11.85
Rot. Bonds2

About 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine

10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine (PubChem CID 134175831) has the molecular formula C39H27NOS2 and a molecular weight of 589.79 g/mol. Its IUPAC name is 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine
PubChem CID134175831
Molecular FormulaC39H27NOS2
Molecular Weight589.79 g/mol
Exact Mass589.15
IUPAC Name10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine
SMILESCC1(C)c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc3c(c21)Sc1ccccc1S3
InChIInChI=1S/C39H27NOS2/c1-39(2)29-23-25(17-20-27(29)28-21-22-36-38(37(28)39)43-35-14-8-7-13-34(35)42-36)24-15-18-26(19-16-24)40-30-9-3-5-11-32(30)41-33-12-6-4-10-31(33)40/h3-23H,1-2H3
InChIKeyVRLDXNOFFKXFTF-UHFFFAOYSA-N
XLogP11.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.79
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine
CID 134176005
2-[3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 134176006
N,N-bis[4-[4-(4-phenothiazin-10-ylphenyl)phenyl]phenyl]-4-phenylaniline;9,9-dimethyl-N,N-bis[4-[4-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 162159610
3-[3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]-9-phenylcarbazole
CID 134175822
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
3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 145441726
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
CID 145009575
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
15,15-dimethyl-11-(3-triphenylen-2-ylphenyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene
CID 134176068
3-[3,5-bis(3-phenoxazin-10-ylphenoxazin-10-yl)phenyl]-10,10-dimethylanthracen-9-one
CID 142288177
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108

Frequently Asked Questions

What is the IUPAC name of 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine (CID 134175831) is 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine is CC1(C)c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc3c(c21)Sc1ccccc1S3.
What is the InChIKey of 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine?
The InChIKey is VRLDXNOFFKXFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NOS2/c1-39(2)29-23-25(17-20-27(29)28-21-22-36-38(37(28)39)43-35-14-8-7-13-34(35)42-36)24-15-18-26(19-16-24)40-30-9-3-5-11-32(30)41-33-12-6-4-10-31(33)40/h3-23H,1-2H3.
What are the key properties of 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine?
10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine has a molecular weight of 589.79 g/mol, XLogP of 11.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]phenoxazine is sourced from PubChem (CID 134175831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).