2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]

C37H25ClOS — CID 153282053

IUPAC2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]
SMILESClc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2S(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C37H25ClOS/c38-26-23-24-34-32(25-26)37(29-17-7-10-20-33(29)39-34)30-18-8-11-21-35(30)40(27-13-3-1-4-14-27,28-15-5-2-6-16-28)36-22-12-9-19-31(36)37/h1-25H
InChIKeyQYMDICYOMYQARG-UHFFFAOYSA-N
MW553.13 g/mol
LogP10.48
Rot. Bonds2

About 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]

2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene] (PubChem CID 153282053) has the molecular formula C37H25ClOS and a molecular weight of 553.13 g/mol. Its IUPAC name is 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene].

Molecular Properties

Compound Name2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]
PubChem CID153282053
Molecular FormulaC37H25ClOS
Molecular Weight553.13 g/mol
Exact Mass552.13
IUPAC Name2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]
SMILESClc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2S(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C37H25ClOS/c38-26-23-24-34-32(25-26)37(29-17-7-10-20-33(29)39-34)30-18-8-11-21-35(30)40(27-13-3-1-4-14-27,28-15-5-2-6-16-28)36-22-12-9-19-31(36)37/h1-25H
InChIKeyQYMDICYOMYQARG-UHFFFAOYSA-N
XLogP10.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.13
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 139034721
2,8-dibromo-10,10-diphenylphenoxathiine
CID 138720140
2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
CID 166844508
(9R)-3-chloro-9-phenylxanthen-9-ol
CID 92531993
spiro[thioxanthene-9,9'-xanthene]
CID 59096341
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
2'-benzylspiro[fluorene-9,9'-xanthene]
CID 155763670
4-(7'-chlorospiro[fluorene-9,9'-xanthene]-4'-yl)aniline
CID 139477235
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]?
The IUPAC name of 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene] (CID 153282053) is 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene].
What is the SMILES notation for 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]?
The canonical SMILES for 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene] is Clc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2S(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]?
The InChIKey is QYMDICYOMYQARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25ClOS/c38-26-23-24-34-32(25-26)37(29-17-7-10-20-33(29)39-34)30-18-8-11-21-35(30)40(27-13-3-1-4-14-27,28-15-5-2-6-16-28)36-22-12-9-19-31(36)37/h1-25H.
What are the key properties of 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene]?
2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene] has a molecular weight of 553.13 g/mol, XLogP of 10.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-10,10-diphenylspiro[thioxanthene-9,9'-xanthene] is sourced from PubChem (CID 153282053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).