5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole

C33H23NS — CID 118503087

IUPAC5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c21
InChIInChI=1S/C33H23NS/c1-33(2)25-14-6-3-10-20(25)22-13-9-16-28(31(22)33)34-26-15-7-4-12-24(26)30-27(34)19-18-23-21-11-5-8-17-29(21)35-32(23)30/h3-19H,1-2H3
InChIKeyKJUUPKXVFILBJQ-UHFFFAOYSA-N
MW465.62 g/mol
LogP9.46
Rot. Bonds1

About 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole

5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 118503087) has the molecular formula C33H23NS and a molecular weight of 465.62 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID118503087
Molecular FormulaC33H23NS
Molecular Weight465.62 g/mol
Exact Mass465.16
IUPAC Name5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c21
InChIInChI=1S/C33H23NS/c1-33(2)25-14-6-3-10-20(25)22-13-9-16-28(31(22)33)34-26-15-7-4-12-24(26)30-27(34)19-18-23-21-11-5-8-17-29(21)35-32(23)30/h3-19H,1-2H3
InChIKeyKJUUPKXVFILBJQ-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

N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
1'-dibenzothiophen-4-yl-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]
CID 135140251
5-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-c]carbazole
CID 130334318
5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 90057304
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;5-[2-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,9,9-triphenyl-4-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 158105058
14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118503122
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414844
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580972
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300211
5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90057155
6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine
CID 90372269

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole (CID 118503087) is 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c21.
What is the InChIKey of 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is KJUUPKXVFILBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NS/c1-33(2)25-14-6-3-10-20(25)22-13-9-16-28(31(22)33)34-26-15-7-4-12-24(26)30-27(34)19-18-23-21-11-5-8-17-29(21)35-32(23)30/h3-19H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]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 5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 118503087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).