3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]

C35H21ClS — CID 168799164

IUPAC3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]
SMILESClc1ccc2c(c1-c1ccc3ccccc3c1)Sc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21ClS/c36-31-20-19-30-34(33(31)24-18-17-22-9-1-2-10-23(22)21-24)37-32-16-8-7-15-29(32)35(30)27-13-5-3-11-25(27)26-12-4-6-14-28(26)35/h1-21H
InChIKeyVDDMGTMMQGWIPU-UHFFFAOYSA-N
MW509.07 g/mol
LogP9.99
Rot. Bonds1

About 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]

3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene] (PubChem CID 168799164) has the molecular formula C35H21ClS and a molecular weight of 509.07 g/mol. Its IUPAC name is 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene].

Molecular Properties

Compound Name3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]
PubChem CID168799164
Molecular FormulaC35H21ClS
Molecular Weight509.07 g/mol
Exact Mass508.11
IUPAC Name3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]
SMILESClc1ccc2c(c1-c1ccc3ccccc3c1)Sc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21ClS/c36-31-20-19-30-34(33(31)24-18-17-22-9-1-2-10-23(22)21-24)37-32-16-8-7-15-29(32)35(30)27-13-5-3-11-25(27)26-12-4-6-14-28(26)35/h1-21H
InChIKeyVDDMGTMMQGWIPU-UHFFFAOYSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.07
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3'-chloro-4'-naphthalen-2-ylspiro[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-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 166737951
N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine
CID 164707085
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476072
4-[4'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile
CID 146215844
CID 146184561
CID 146184561
2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327029
8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline
CID 153486712
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-yl-1,3,5-triazine
CID 155054905
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962634
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
4-(4-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)benzonitrile
CID 139476897
14',21'-dinaphthalen-2-ylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175305

Frequently Asked Questions

What is the IUPAC name of 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]?
The IUPAC name of 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene] (CID 168799164) is 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene].
What is the SMILES notation for 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]?
The canonical SMILES for 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene] is Clc1ccc2c(c1-c1ccc3ccccc3c1)Sc1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]?
The InChIKey is VDDMGTMMQGWIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21ClS/c36-31-20-19-30-34(33(31)24-18-17-22-9-1-2-10-23(22)21-24)37-32-16-8-7-15-29(32)35(30)27-13-5-3-11-25(27)26-12-4-6-14-28(26)35/h1-21H.
What are the key properties of 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]?
3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene] has a molecular weight of 509.07 g/mol, XLogP of 9.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene] is sourced from PubChem (CID 168799164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).