2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]

C41H31NOS — CID 144769223

IUPAC2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]
SMILESCC(C)c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2N(c2ccc3c(c2)Oc2ccccc2C3)c2ccccc21
InChIInChI=1S/C41H31NOS/c1-26(2)27-20-22-40-34(24-27)41(33-14-6-10-18-39(33)44-40)31-12-4-7-15-35(31)42(36-16-8-5-13-32(36)41)30-21-19-29-23-28-11-3-9-17-37(28)43-38(29)25-30/h3-22,24-26H,23H2,1-2H3
InChIKeyFQDHSISNMCDEAJ-UHFFFAOYSA-N
MW585.77 g/mol
LogP11.14
Rot. Bonds2

About 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]

2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene] (PubChem CID 144769223) has the molecular formula C41H31NOS and a molecular weight of 585.77 g/mol. Its IUPAC name is 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene].

Molecular Properties

Compound Name2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]
PubChem CID144769223
Molecular FormulaC41H31NOS
Molecular Weight585.77 g/mol
Exact Mass585.21
IUPAC Name2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]
SMILESCC(C)c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2N(c2ccc3c(c2)Oc2ccccc2C3)c2ccccc21
InChIInChI=1S/C41H31NOS/c1-26(2)27-20-22-40-34(24-27)41(33-14-6-10-18-39(33)44-40)31-12-4-7-15-35(31)42(36-16-8-5-13-32(36)41)30-21-19-29-23-28-11-3-9-17-37(28)43-38(29)25-30/h3-22,24-26H,23H2,1-2H3
InChIKeyFQDHSISNMCDEAJ-UHFFFAOYSA-N
XLogP11.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.77
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-di(spiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)xanthen-9-one;3-(4-spiro[acridine-9,9'-thioxanthene]-10-ylphenyl)xanthen-9-one;3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 159218608
3-propan-2-ylphenoxathiine
CID 170963215
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
CID 160806653
1-[4-(10'-phenylspiro[14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]-10-yl)phenyl]ethanamine
CID 145314004
9,9-dimethyl-10-(3-propan-2-ylphenyl)acridine;N,N-diphenyl-3-propan-2-ylaniline;5-methyl-10-(3-propan-2-ylphenyl)phenazine;10-(4-propan-2-ylphenyl)phenothiazine;10-(3-propan-2-ylphenyl)phenoxazine
CID 164993931
10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]
CID 140835374
10-[3-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]spiro[acridine-9,9'-thioxanthene]
CID 140835417
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
spiro[thioxanthene-9,9'-xanthene]
CID 59096341
10-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-5-ylphenoxazine
CID 146654617
3,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;3-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)thioxanthen-9-one;3-(9,9-dimethylacridin-10-yl)-6-[4-(9,9-dimethylacridin-10-yl)phenyl]thioxanthen-9-one;3-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]thioxanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)thioxanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]thioxanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)thioxanthen-9-one
CID 159385312
10,10-dimethyl-5-phenyl-3-propan-2-ylbenzo[b][1,4]benzazasiline;5,10-diphenyl-2-propan-2-ylphenazine;10-methyl-3-propan-2-yl-9H-acridine;10-phenyl-2-propan-2-ylphenothiazine;10-phenyl-2-propan-2-ylphenoxazine;5-phenyl-3-propan-2-ylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];9,9,10-trimethyl-3-propan-2-ylacridine
CID 161009215

Frequently Asked Questions

What is the IUPAC name of 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]?
The IUPAC name of 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene] (CID 144769223) is 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene].
What is the SMILES notation for 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]?
The canonical SMILES for 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene] is CC(C)c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2N(c2ccc3c(c2)Oc2ccccc2C3)c2ccccc21.
What is the InChIKey of 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]?
The InChIKey is FQDHSISNMCDEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NOS/c1-26(2)27-20-22-40-34(24-27)41(33-14-6-10-18-39(33)44-40)31-12-4-7-15-35(31)42(36-16-8-5-13-32(36)41)30-21-19-29-23-28-11-3-9-17-37(28)43-38(29)25-30/h3-22,24-26H,23H2,1-2H3.
What are the key properties of 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene]?
2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene] has a molecular weight of 585.77 g/mol, XLogP of 11.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-propan-2-yl-10-(9H-xanthen-3-yl)spiro[acridine-9,9'-thioxanthene] is sourced from PubChem (CID 144769223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).