8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]

C32H23ClS — CID 144746382

IUPAC8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]
SMILESC/C=C\c1c(CC)sc2c3c(ccc12)C1(c2ccccc2-c2ccccc21)c1cc(Cl)ccc1-3
InChIInChI=1S/C32H23ClS/c1-3-9-22-23-16-17-27-30(31(23)34-29(22)4-2)24-15-14-19(33)18-28(24)32(27)25-12-7-5-10-20(25)21-11-6-8-13-26(21)32/h3,5-18H,4H2,1-2H3/b9-3-
InChIKeyZRKMLBGZYPPHHU-OQFOIZHKSA-N
MW475.06 g/mol
LogP9.49
Rot. Bonds2

About 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]

8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole] (PubChem CID 144746382) has the molecular formula C32H23ClS and a molecular weight of 475.06 g/mol. Its IUPAC name is 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole].

Molecular Properties

Compound Name8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]
PubChem CID144746382
Molecular FormulaC32H23ClS
Molecular Weight475.06 g/mol
Exact Mass474.12
IUPAC Name8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]
SMILESC/C=C\c1c(CC)sc2c3c(ccc12)C1(c2ccccc2-c2ccccc21)c1cc(Cl)ccc1-3
InChIInChI=1S/C32H23ClS/c1-3-9-22-23-16-17-27-30(31(23)34-29(22)4-2)24-15-14-19(33)18-28(24)32(27)25-12-7-5-10-20(25)21-11-6-8-13-26(21)32/h3,5-18H,4H2,1-2H3/b9-3-
InChIKeyZRKMLBGZYPPHHU-OQFOIZHKSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.06
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole] with MolForge

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Related Compounds

CID 102192841
CID 102192841
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
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-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196
2',7'-diethylspiro[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'-fluorene]
CID 122504097
2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 137448750
N,N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462449
4,4,5,5-tetramethyl-2-spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,2-dioxaborolane
CID 147965610
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline
CID 18790904

Frequently Asked Questions

What is the IUPAC name of 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]?
The IUPAC name of 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole] (CID 144746382) is 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole].
What is the SMILES notation for 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]?
The canonical SMILES for 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole] is C/C=C\c1c(CC)sc2c3c(ccc12)C1(c2ccccc2-c2ccccc21)c1cc(Cl)ccc1-3.
What is the InChIKey of 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]?
The InChIKey is ZRKMLBGZYPPHHU-OQFOIZHKSA-N. The full InChI is InChI=1S/C32H23ClS/c1-3-9-22-23-16-17-27-30(31(23)34-29(22)4-2)24-15-14-19(33)18-28(24)32(27)25-12-7-5-10-20(25)21-11-6-8-13-26(21)32/h3,5-18H,4H2,1-2H3/b9-3-.
What are the key properties of 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole]?
8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole] has a molecular weight of 475.06 g/mol, XLogP of 9.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-chloro-2'-ethyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,6'-indeno[2,1-g][1]benzothiole] is sourced from PubChem (CID 144746382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).