9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole

C35H22FN3S — CID 140952228

IUPAC9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)sc1ccccc14
InChIInChI=1S/C35H22FN3S/c36-35(23-9-7-8-22(18-23)29-11-3-5-16-37-29)24-14-15-25-27-20-28-26-10-1-2-12-32(26)40-33(28)21-31(27)39(30(25)19-24)34-13-4-6-17-38-34/h1-21,35H
InChIKeyPXCQRAIWTYLCRN-UHFFFAOYSA-N
MW535.65 g/mol
LogP9.67
Rot. Bonds4

About 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole

9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 140952228) has the molecular formula C35H22FN3S and a molecular weight of 535.65 g/mol. Its IUPAC name is 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole
PubChem CID140952228
Molecular FormulaC35H22FN3S
Molecular Weight535.65 g/mol
Exact Mass535.15
IUPAC Name9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)sc1ccccc14
InChIInChI=1S/C35H22FN3S/c36-35(23-9-7-8-22(18-23)29-11-3-5-16-37-29)24-14-15-25-27-20-28-26-10-1-2-12-32(26)40-33(28)21-31(27)39(30(25)19-24)34-13-4-6-17-38-34/h1-21,35H
InChIKeyPXCQRAIWTYLCRN-UHFFFAOYSA-N
XLogP9.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593353
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
10-(3,5-Difluorophenyl)-7-phenyl-14-thia-5,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 89862536
N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195052
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[9-(6-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195054
N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 90195060
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195086
N-[4-[5-(6-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195089
N-[4-[5-(5-fluoro-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195092

Frequently Asked Questions

What is the IUPAC name of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole (CID 140952228) is 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole is FC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)sc1ccccc14.
What is the InChIKey of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is PXCQRAIWTYLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3S/c36-35(23-9-7-8-22(18-23)29-11-3-5-16-37-29)24-14-15-25-27-20-28-26-10-1-2-12-32(26)40-33(28)21-31(27)39(30(25)19-24)34-13-4-6-17-38-34/h1-21,35H.
What are the key properties of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole?
9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 535.65 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 140952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).