2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran

C43H25ClOS — CID 168799112

IUPAC2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran
SMILESClc1cc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2c(c1)C1(c3ccccc3S2)c2ccccc2-c2ccccc21
InChIInChI=1S/C43H25ClOS/c44-29-24-33(28-11-9-10-26(22-28)27-20-21-40-34(23-27)32-14-3-7-18-39(32)45-40)42-38(25-29)43(37-17-6-8-19-41(37)46-42)35-15-4-1-12-30(35)31-13-2-5-16-36(31)43/h1-25H
InChIKeyRBEUSZREKGIBJE-UHFFFAOYSA-N
MW625.19 g/mol
LogP12.40
Rot. Bonds2

About 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran

2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran (PubChem CID 168799112) has the molecular formula C43H25ClOS and a molecular weight of 625.19 g/mol. Its IUPAC name is 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran
PubChem CID168799112
Molecular FormulaC43H25ClOS
Molecular Weight625.19 g/mol
Exact Mass624.13
IUPAC Name2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran
SMILESClc1cc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2c(c1)C1(c3ccccc3S2)c2ccccc2-c2ccccc21
InChIInChI=1S/C43H25ClOS/c44-29-24-33(28-11-9-10-26(22-28)27-20-21-40-34(23-27)32-14-3-7-18-39(32)45-40)42-38(25-29)43(37-17-6-8-19-41(37)46-42)35-15-4-1-12-30(35)31-13-2-5-16-36(31)43/h1-25H
InChIKeyRBEUSZREKGIBJE-UHFFFAOYSA-N
XLogP12.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.19
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran 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

3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran
CID 155483429
4'-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 135140198
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
CID 168793800
4-phenyl-N-(8-phenyldibenzofuran-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3-amine
CID 169315843
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
CID 166934109
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
2,4-diphenyl-6-[3-(3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 147415682
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-7-yl-1,3,5-triazine
CID 167340541
2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553232
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476102

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran?
The IUPAC name of 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran (CID 168799112) is 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran is Clc1cc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2c(c1)C1(c3ccccc3S2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran?
The InChIKey is RBEUSZREKGIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25ClOS/c44-29-24-33(28-11-9-10-26(22-28)27-20-21-40-34(23-27)32-14-3-7-18-39(32)45-40)42-38(25-29)43(37-17-6-8-19-41(37)46-42)35-15-4-1-12-30(35)31-13-2-5-16-36(31)43/h1-25H.
What are the key properties of 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran?
2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran has a molecular weight of 625.19 g/mol, XLogP of 12.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran is sourced from PubChem (CID 168799112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).