(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine

C24H15AtS — CID 156721119

IUPAC(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine
SMILESCc1sc([At])c2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C24H15AtS/c1-14-22-21(23(25)26-14)17-10-4-7-13-20(17)24(22)18-11-5-2-8-15(18)16-9-3-6-12-19(16)24/h2-13H,1H3
InChIKeyCZJJTBZCZWRFMK-UHFFFAOYSA-N
MW545.45 g/mol
LogP5.57
Rot. Bonds

About (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine

(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine (PubChem CID 156721119) has the molecular formula C24H15AtS and a molecular weight of 545.45 g/mol. Its IUPAC name is (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine.

Molecular Properties

Compound Name(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine
PubChem CID156721119
Molecular FormulaC24H15AtS
Molecular Weight545.45 g/mol
Exact Mass545.08
IUPAC Name(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine
SMILESCc1sc([At])c2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C24H15AtS/c1-14-22-21(23(25)26-14)17-10-4-7-13-20(17)24(22)18-11-5-2-8-15(18)16-9-3-6-12-19(16)24/h2-13H,1H3
InChIKeyCZJJTBZCZWRFMK-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
CID 86241062
CID 86241062
(2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]
CID 156721179
CID 102532137
CID 102532137
1',3'-dimethyl-9,9'-spirobi[fluorene]
CID 169054935
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
4-methyl-9,9-diphenylfluorene
CID 123595050
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038

Frequently Asked Questions

What is the IUPAC name of (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine?
The IUPAC name of (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine (CID 156721119) is (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine.
What is the SMILES notation for (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine?
The canonical SMILES for (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine is Cc1sc([At])c2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine?
The InChIKey is CZJJTBZCZWRFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15AtS/c1-14-22-21(23(25)26-14)17-10-4-7-13-20(17)24(22)18-11-5-2-8-15(18)16-9-3-6-12-19(16)24/h2-13H,1H3.
What are the key properties of (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine?
(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine has a molecular weight of 545.45 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine is sourced from PubChem (CID 156721119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).