1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene

C24H20S — CID 122577342

IUPAC1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene
SMILESCc1sc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12
InChIInChI=1S/C24H20S/c1-15-17-8-4-5-10-20(17)23(25-15)16-12-13-19-18-9-6-7-11-21(18)24(2,3)22(19)14-16/h4-14H,1-3H3
InChIKeyWBRCMNSEUJYWAW-UHFFFAOYSA-N
MW340.49 g/mol
LogP7.18
Rot. Bonds1

About 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene

1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene (PubChem CID 122577342) has the molecular formula C24H20S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene
PubChem CID122577342
Molecular FormulaC24H20S
Molecular Weight340.49 g/mol
Exact Mass340.13
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene
SMILESCc1sc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12
InChIInChI=1S/C24H20S/c1-15-17-8-4-5-10-20(17)23(25-15)16-12-13-19-18-9-6-7-11-21(18)24(2,3)22(19)14-16/h4-14H,1-3H3
InChIKeyWBRCMNSEUJYWAW-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 155449285
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene (CID 122577342) is 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene is Cc1sc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene?
The InChIKey is WBRCMNSEUJYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20S/c1-15-17-8-4-5-10-20(17)23(25-15)16-12-13-19-18-9-6-7-11-21(18)24(2,3)22(19)14-16/h4-14H,1-3H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene?
1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene has a molecular weight of 340.49 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene is sourced from PubChem (CID 122577342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).