9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole

C29H21NS — CID 123407245

IUPAC9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5sccc5cc43)cc21
InChIInChI=1S/C29H21NS/c1-29(2)24-9-5-3-7-20(24)21-12-11-19(16-25(21)29)30-26-10-6-4-8-22(26)23-17-28-18(13-14-31-28)15-27(23)30/h3-17H,1-2H3
InChIKeyRBGVDRCNMMSWJF-UHFFFAOYSA-N
MW415.56 g/mol
LogP8.30
Rot. Bonds1

About 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole

9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole (PubChem CID 123407245) has the molecular formula C29H21NS and a molecular weight of 415.56 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole
PubChem CID123407245
Molecular FormulaC29H21NS
Molecular Weight415.56 g/mol
Exact Mass415.14
IUPAC Name9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5sccc5cc43)cc21
InChIInChI=1S/C29H21NS/c1-29(2)24-9-5-3-7-20(24)21-12-11-19(16-25(21)29)30-26-10-6-4-8-22(26)23-17-28-18(13-14-31-28)15-27(23)30/h3-17H,1-2H3
InChIKeyRBGVDRCNMMSWJF-UHFFFAOYSA-N
XLogP8.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
CID 134551753
CID 134551753
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole (CID 123407245) is 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5sccc5cc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole?
The InChIKey is RBGVDRCNMMSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NS/c1-29(2)24-9-5-3-7-20(24)21-12-11-19(16-25(21)29)30-26-10-6-4-8-22(26)23-17-28-18(13-14-31-28)15-27(23)30/h3-17H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole?
9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole has a molecular weight of 415.56 g/mol, XLogP of 8.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)thieno[3,2-b]carbazole is sourced from PubChem (CID 123407245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).