12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole

C44H27NS — CID 170284217

IUPAC12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1cccc2c1-c1cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)ccc1C2
InChIInChI=1S/C44H27NS/c1-2-11-30-26(9-1)24-39-31(30)14-8-15-32(39)35-16-7-10-28-23-27-19-20-29(25-38(27)42(28)35)45-40-17-5-3-12-33(40)36-21-22-37-34-13-4-6-18-41(34)46-44(37)43(36)45/h1-22,25H,23-24H2
InChIKeyHVQYUTXLDAIXCT-UHFFFAOYSA-N
MW601.77 g/mol
LogP11.96
Rot. Bonds2

About 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole

12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 170284217) has the molecular formula C44H27NS and a molecular weight of 601.77 g/mol. Its IUPAC name is 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID170284217
Molecular FormulaC44H27NS
Molecular Weight601.77 g/mol
Exact Mass601.19
IUPAC Name12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1cccc2c1-c1cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)ccc1C2
InChIInChI=1S/C44H27NS/c1-2-11-30-26(9-1)24-39-31(30)14-8-15-32(39)35-16-7-10-28-23-27-19-20-29(25-38(27)42(28)35)45-40-17-5-3-12-33(40)36-21-22-37-34-13-4-6-18-41(34)46-44(37)43(36)45/h1-22,25H,23-24H2
InChIKeyHVQYUTXLDAIXCT-UHFFFAOYSA-N
XLogP11.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.77
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[3-[4-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167337151
12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170284179
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[5-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 169287426
12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole
CID 158070400
12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 167193290
9-[5-(9H-fluoren-2-yl)-9H-fluoren-3-yl]carbazole
CID 170284108
1-azanonacyclo[21.10.1.02,21.04,19.06,18.09,17.010,15.027,34.028,33]tetratriaconta-2,4(19),6(18),7,9(17),10,12,14,20,23(34),24,26,28,30,32-pentadecaene
CID 167548772
11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
CID 130409428
15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 158856907
12-(4-methylphenyl)-7H-indeno[1,2-a]carbazole
CID 159826504
12-(3-dibenzofuran-1-yl-4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 171612078

Frequently Asked Questions

What is the IUPAC name of 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole (CID 170284217) is 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc2c(c1)Cc1c-2cccc1-c1cccc2c1-c1cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)ccc1C2.
What is the InChIKey of 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is HVQYUTXLDAIXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS/c1-2-11-30-26(9-1)24-39-31(30)14-8-15-32(39)35-16-7-10-28-23-27-19-20-29(25-38(27)42(28)35)45-40-17-5-3-12-33(40)36-21-22-37-34-13-4-6-18-41(34)46-44(37)43(36)45/h1-22,25H,23-24H2.
What are the key properties of 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole?
12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 601.77 g/mol, XLogP of 11.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 170284217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).