3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]

C37H23ClS — CID 166844662

IUPAC3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]
SMILESClc1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3-c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C37H23ClS/c38-26-19-20-27(30(23-26)24-10-2-1-3-11-24)25-18-21-34-36(22-25)39-35-17-9-8-16-33(35)37(34)31-14-6-4-12-28(31)29-13-5-7-15-32(29)37/h1-23H
InChIKeyAZTUQIRMUATHKU-UHFFFAOYSA-N
MW535.11 g/mol
LogP10.50
Rot. Bonds2

About 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]

3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene] (PubChem CID 166844662) has the molecular formula C37H23ClS and a molecular weight of 535.11 g/mol. Its IUPAC name is 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene].

Molecular Properties

Compound Name3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]
PubChem CID166844662
Molecular FormulaC37H23ClS
Molecular Weight535.11 g/mol
Exact Mass534.12
IUPAC Name3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]
SMILESClc1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3-c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C37H23ClS/c38-26-19-20-27(30(23-26)24-10-2-1-3-11-24)25-18-21-34-36(22-25)39-35-17-9-8-16-33(35)37(34)31-14-6-4-12-28(31)29-13-5-7-15-32(29)37/h1-23H
InChIKeyAZTUQIRMUATHKU-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.11
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 166737951
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
3,3',6,6'-tetraphenyl-9,9'-spirobi[thioxanthene]
CID 118698488
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
CID 146184571
CID 146184571
3,5-diphenyl-6-[4-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]-1,2,4-triazine
CID 163635762
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476002
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146326926

Frequently Asked Questions

What is the IUPAC name of 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]?
The IUPAC name of 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene] (CID 166844662) is 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene].
What is the SMILES notation for 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]?
The canonical SMILES for 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene] is Clc1ccc(-c2ccc3c(c2)Sc2ccccc2C32c3ccccc3-c3ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]?
The InChIKey is AZTUQIRMUATHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23ClS/c38-26-19-20-27(30(23-26)24-10-2-1-3-11-24)25-18-21-34-36(22-25)39-35-17-9-8-16-33(35)37(34)31-14-6-4-12-28(31)29-13-5-7-15-32(29)37/h1-23H.
What are the key properties of 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]?
3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene] has a molecular weight of 535.11 g/mol, XLogP of 10.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-chloro-2-phenylphenyl)spiro[fluorene-9,9'-thioxanthene] is sourced from PubChem (CID 166844662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).