11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline

C40H25NS — CID 138661461

IUPAC11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4c5ccccc5nc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C40H25NS/c1-3-14-26(15-4-1)40(27-16-5-2-6-17-27)32-22-10-7-18-28(32)36-31(21-13-23-33(36)40)37-29-19-8-11-24-34(29)41-39-38(37)30-20-9-12-25-35(30)42-39/h1-25H
InChIKeyJOINAWHAKKEPIZ-UHFFFAOYSA-N
MW551.71 g/mol
LogP10.63
Rot. Bonds3

About 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline

11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline (PubChem CID 138661461) has the molecular formula C40H25NS and a molecular weight of 551.71 g/mol. Its IUPAC name is 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline.

Molecular Properties

Compound Name11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
PubChem CID138661461
Molecular FormulaC40H25NS
Molecular Weight551.71 g/mol
Exact Mass551.17
IUPAC Name11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4c5ccccc5nc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C40H25NS/c1-3-14-26(15-4-1)40(27-16-5-2-6-17-27)32-22-10-7-18-28(32)36-31(21-13-23-33(36)40)37-29-19-8-11-24-34(29)41-39-38(37)30-20-9-12-25-35(30)42-39/h1-25H
InChIKeyJOINAWHAKKEPIZ-UHFFFAOYSA-N
XLogP10.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.71
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-2-(8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-[1]benzothiolo[2,3-d]pyrimidine
CID 170722225
4-(4-dibenzothiophen-1-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603974
11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661477
2,4-di(dibenzothiophen-4-yl)-6-(9,9-diphenylfluoren-4-yl)pyrimidine
CID 167349336
4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603284
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662837
2-dibenzothiophen-3-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278720
2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349773
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
11-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-thia-3,10-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 156514602
3-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391949

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline?
The IUPAC name of 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline (CID 138661461) is 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline.
What is the SMILES notation for 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline?
The canonical SMILES for 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4c5ccccc5nc5sc6ccccc6c45)cccc32)cc1.
What is the InChIKey of 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline?
The InChIKey is JOINAWHAKKEPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NS/c1-3-14-26(15-4-1)40(27-16-5-2-6-17-27)32-22-10-7-18-28(32)36-31(21-13-23-33(36)40)37-29-19-8-11-24-34(29)41-39-38(37)30-20-9-12-25-35(30)42-39/h1-25H.
What are the key properties of 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline?
11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline has a molecular weight of 551.71 g/mol, XLogP of 10.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline is sourced from PubChem (CID 138661461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).