9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole

C33H23NS — CID 58501473

IUPAC9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3sc4ccccc4c3cc21
InChIInChI=1S/C33H23NS/c1-33(2)27-17-20(34-29-12-6-3-9-22(29)23-10-4-7-13-30(23)34)15-16-21(27)25-19-32-26(18-28(25)33)24-11-5-8-14-31(24)35-32/h3-19H,1-2H3
InChIKeyUHAXZTZMDJIEKW-UHFFFAOYSA-N
MW465.62 g/mol
LogP9.46
Rot. Bonds1

About 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole

9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole (PubChem CID 58501473) has the molecular formula C33H23NS and a molecular weight of 465.62 g/mol. Its IUPAC name is 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole.

Molecular Properties

Compound Name9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
PubChem CID58501473
Molecular FormulaC33H23NS
Molecular Weight465.62 g/mol
Exact Mass465.16
IUPAC Name9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3sc4ccccc4c3cc21
InChIInChI=1S/C33H23NS/c1-33(2)27-17-20(34-29-12-6-3-9-22(29)23-10-4-7-13-30(23)34)15-16-21(27)25-19-32-26(18-28(25)33)24-11-5-8-14-31(24)35-32/h3-19H,1-2H3
InChIKeyUHAXZTZMDJIEKW-UHFFFAOYSA-N
XLogP9.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-9-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099006
25-carbazol-9-yl-22-dibenzothiophen-2-yl-32,32-dimethyl-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 90222706
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one
CID 164850182
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7,7-dimethyl-5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 161187955
15-[4-[4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]-19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 89492523
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
CID 134551753
CID 134551753
9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
CID 171736760
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine
CID 121329664
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751

Frequently Asked Questions

What is the IUPAC name of 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole?
The IUPAC name of 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole (CID 58501473) is 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole.
What is the SMILES notation for 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole?
The canonical SMILES for 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3sc4ccccc4c3cc21.
What is the InChIKey of 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole?
The InChIKey is UHAXZTZMDJIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NS/c1-33(2)27-17-20(34-29-12-6-3-9-22(29)23-10-4-7-13-30(23)34)15-16-21(27)25-19-32-26(18-28(25)33)24-11-5-8-14-31(24)35-32/h3-19H,1-2H3.
What are the key properties of 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole?
9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole has a molecular weight of 465.62 g/mol, XLogP of 9.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole is sourced from PubChem (CID 58501473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).