4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]

C37H21ClOS — CID 166844661

IUPAC4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]
SMILESClc1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C37H21ClOS/c38-30-21-20-23(36-35(30)25-11-2-8-19-33(25)40-36)22-12-9-16-29-34(22)24-10-1-3-13-26(24)37(29)27-14-4-6-17-31(27)39-32-18-7-5-15-28(32)37/h1-21H
InChIKeyRRRWIDPLUKLYEL-UHFFFAOYSA-N
MW549.09 g/mol
LogP10.84
Rot. Bonds1

About 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]

4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 166844661) has the molecular formula C37H21ClOS and a molecular weight of 549.09 g/mol. Its IUPAC name is 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID166844661
Molecular FormulaC37H21ClOS
Molecular Weight549.09 g/mol
Exact Mass548.10
IUPAC Name4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]
SMILESClc1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C37H21ClOS/c38-30-21-20-23(36-35(30)25-11-2-8-19-33(25)40-36)22-12-9-16-29-34(22)24-10-1-3-13-26(24)37(29)27-14-4-6-17-31(27)39-32-18-7-5-15-28(32)37/h1-21H
InChIKeyRRRWIDPLUKLYEL-UHFFFAOYSA-N
XLogP10.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.09
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 176824680
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
CID 166960048
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167700860
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167685716
2-pyridin-3-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126769
4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
CID 167340465
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174286860
2,4-diphenyl-6-[3-(3-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 148983450

Frequently Asked Questions

What is the IUPAC name of 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene] (CID 166844661) is 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene] is Clc1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2sc3ccccc3c12.
What is the InChIKey of 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is RRRWIDPLUKLYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21ClOS/c38-30-21-20-23(36-35(30)25-11-2-8-19-33(25)40-36)22-12-9-16-29-34(22)24-10-1-3-13-26(24)37(29)27-14-4-6-17-31(27)39-32-18-7-5-15-28(32)37/h1-21H.
What are the key properties of 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]?
4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 549.09 g/mol, XLogP of 10.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 166844661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).