5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole

C35H21FN2S — CID 163665937

IUPAC5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESFc1ccc(-c2ccc(-c3ccnc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)cc2)cc1
InChIInChI=1S/C35H21FN2S/c36-26-15-13-23(14-16-26)22-9-11-24(12-10-22)25-19-20-37-33(21-25)38-30-7-3-1-6-29(30)34-31(38)18-17-28-27-5-2-4-8-32(27)39-35(28)34/h1-21H
InChIKeyIYLCWCYNQXDBFH-UHFFFAOYSA-N
MW520.63 g/mol
LogP10.02
Rot. Bonds3

About 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole

5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 163665937) has the molecular formula C35H21FN2S and a molecular weight of 520.63 g/mol. Its IUPAC name is 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID163665937
Molecular FormulaC35H21FN2S
Molecular Weight520.63 g/mol
Exact Mass520.14
IUPAC Name5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESFc1ccc(-c2ccc(-c3ccnc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)cc2)cc1
InChIInChI=1S/C35H21FN2S/c36-26-15-13-23(14-16-26)22-9-11-24(12-10-22)25-19-20-37-33(21-25)38-30-7-3-1-6-29(30)34-31(38)18-17-28-27-5-2-4-8-32(27)39-35(28)34/h1-21H
InChIKeyIYLCWCYNQXDBFH-UHFFFAOYSA-N
XLogP10.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963071
3-[3-(Benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 86575029
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593204
3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593353
5-[[4-(1-Benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130538
5-[[4-(1-Benzothiophen-3-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130555
N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine
CID 89296837
5-Phenyl-2-(4-phenylpyridin-2-yl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole
CID 89609856
1-N,6-N-di(dibenzothiophen-1-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798904
6-N-dibenzothiophen-4-yl-1-N-(9,9-dimethylfluoren-4-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798906
5-Fluoro-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyridine-3-carbonitrile
CID 89840955
9-(3,5-Difluorophenyl)-20-thia-4,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 89862063

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (CID 163665937) is 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is Fc1ccc(-c2ccc(-c3ccnc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is IYLCWCYNQXDBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21FN2S/c36-26-15-13-23(14-16-26)22-9-11-24(12-10-22)25-19-20-37-33(21-25)38-30-7-3-1-6-29(30)34-31(38)18-17-28-27-5-2-4-8-32(27)39-35(28)34/h1-21H.
What are the key properties of 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 520.63 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 163665937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).