10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine

C39H31NOS — CID 146561088

IUPAC10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)S(c2ccccc2)(c2ccccc2)c2ccccc2O3)c2ccccc21
InChIInChI=1S/C39H31NOS/c1-39(2)31-19-9-11-21-33(31)40(34-22-12-10-20-32(34)39)28-25-26-36-38(27-28)42(29-15-5-3-6-16-29,30-17-7-4-8-18-30)37-24-14-13-23-35(37)41-36/h3-27H,1-2H3
InChIKeyXHBLMYAAXAOMQI-UHFFFAOYSA-N
MW561.75 g/mol
LogP11.24
Rot. Bonds3

About 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine

10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine (PubChem CID 146561088) has the molecular formula C39H31NOS and a molecular weight of 561.75 g/mol. Its IUPAC name is 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine.

Molecular Properties

Compound Name10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine
PubChem CID146561088
Molecular FormulaC39H31NOS
Molecular Weight561.75 g/mol
Exact Mass561.21
IUPAC Name10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)S(c2ccccc2)(c2ccccc2)c2ccccc2O3)c2ccccc21
InChIInChI=1S/C39H31NOS/c1-39(2)31-19-9-11-21-33(31)40(34-22-12-10-20-32(34)39)28-25-26-36-38(27-28)42(29-15-5-3-6-16-29,30-17-7-4-8-18-30)37-24-14-13-23-35(37)41-36/h3-27H,1-2H3
InChIKeyXHBLMYAAXAOMQI-UHFFFAOYSA-N
XLogP11.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.75
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
2-[5-(10,10-dioxophenoxathiin-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]phenoxathiine 10,10-dioxide
CID 130396372
10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine
CID 139305599
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
2-[6-(9,9-dimethylacridin-10-yl)-9,9-dimethylxanthen-3-yl]dibenzothiophene 5,5-dioxide
CID 134579078
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213167
10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine
CID 134579076
2,8-dibromo-10,10-diphenylphenoxathiine
CID 138720140
9-(10,10-diphenylphenoxathiin-3-yl)carbazole
CID 138482274

Frequently Asked Questions

What is the IUPAC name of 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine?
The IUPAC name of 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine (CID 146561088) is 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine.
What is the SMILES notation for 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine?
The canonical SMILES for 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)S(c2ccccc2)(c2ccccc2)c2ccccc2O3)c2ccccc21.
What is the InChIKey of 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine?
The InChIKey is XHBLMYAAXAOMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31NOS/c1-39(2)31-19-9-11-21-33(31)40(34-22-12-10-20-32(34)39)28-25-26-36-38(27-28)42(29-15-5-3-6-16-29,30-17-7-4-8-18-30)37-24-14-13-23-35(37)41-36/h3-27H,1-2H3.
What are the key properties of 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine?
10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine has a molecular weight of 561.75 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine is sourced from PubChem (CID 146561088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).