7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole

C26H20S — CID 145232468

IUPAC7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc1c2SC2C=CC=CC12
InChIInChI=1S/C26H20S/c1-26(17-9-3-2-4-10-17)21-13-7-5-12-20(21)24-22(26)16-15-19-18-11-6-8-14-23(18)27-25(19)24/h2-16,18,23H,1H3
InChIKeyLWGSPRSSPUUOFW-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.71
Rot. Bonds1

About 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole

7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole (PubChem CID 145232468) has the molecular formula C26H20S and a molecular weight of 364.51 g/mol. Its IUPAC name is 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole.

Molecular Properties

Compound Name7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole
PubChem CID145232468
Molecular FormulaC26H20S
Molecular Weight364.51 g/mol
Exact Mass364.13
IUPAC Name7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc1c2SC2C=CC=CC12
InChIInChI=1S/C26H20S/c1-26(17-9-3-2-4-10-17)21-13-7-5-12-20(21)24-22(26)16-15-19-18-11-6-8-14-23(18)27-25(19)24/h2-16,18,23H,1H3
InChIKeyLWGSPRSSPUUOFW-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-phenylfluoren-4-ol
CID 139484121
2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167349749
2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
16,16-dimethyl-20-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene
CID 163601127
8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine
CID 118081281
3-(5a,9a-dihydrodibenzothiophen-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262108
6-butan-2-yl-4a,9b-dihydrodibenzothiophene
CID 146854747
4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765228
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 135251639
4-(9-methyl-9-phenylfluoren-4-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015871
2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018587
2-(8-methyl-8-phenylindeno[1,2-a]thianthren-1-yl)-4-(5,5,8-trimethyl-8-phenylindeno[2,1-c]xanthen-1-yl)pyrimidine
CID 118081454

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole?
The IUPAC name of 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole (CID 145232468) is 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole.
What is the SMILES notation for 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole?
The canonical SMILES for 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole is CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2SC2C=CC=CC12.
What is the InChIKey of 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole?
The InChIKey is LWGSPRSSPUUOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20S/c1-26(17-9-3-2-4-10-17)21-13-7-5-12-20(21)24-22(26)16-15-19-18-11-6-8-14-23(18)27-25(19)24/h2-16,18,23H,1H3.
What are the key properties of 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole?
7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole has a molecular weight of 364.51 g/mol, XLogP of 6.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole is sourced from PubChem (CID 145232468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).