1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium

C150H114FO4S7+7 — CID 160650745

IUPAC1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium
SMILESCC(=O)c1ccc2c(c1)c1ccccc1[s+]2-c1ccc(F)cc1.CC(=O)c1ccc2c(c1)c1ccccc1[s+]2-c1ccccc1.Cc1cc(C)c(-[s+]2c3ccccc3c3ccccc32)c(C)c1.Cc1ccc(-[s+]2c3ccccc3c3cc(C(=O)c4cccc(C)c4)ccc32)cc1.Cc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=C(c1ccccc1)c1ccc2c(c1)c1ccccc1[s+]2-c1ccccc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H21OS.C25H17OS.C21H19S.C20H14FOS.C20H15OS.C19H15S.C18H13S/c1-18-10-13-22(14-11-18)29-25-9-4-3-8-23(25)24-17-21(12-15-26(24)29)27(28)20-7-5-6-19(2)16-20;26-25(18-9-3-1-4-10-18)19-15-16-24-22(17-19)21-13-7-8-14-23(21)27(24)20-11-5-2-6-12-20;1-14-12-15(2)21(16(3)13-14)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22;1-13(22)14-6-11-20-18(12-14)17-4-2-3-5-19(17)23(20)16-9-7-15(21)8-10-16;1-14(21)15-11-12-20-18(13-15)17-9-5-6-10-19(17)22(20)16-7-3-2-4-8-16;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h3-17H,1-2H3;1-17H;4-13H,1-3H3;2-12H,1H3;2-13H,1H3;2-13H,1H3;1-13H/q7*+1
InChIKeyRKJMXOCQDIJWBA-UHFFFAOYSA-N
MW2224.02 g/mol
LogP44.98
Rot. Bonds13

About 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium

1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium (PubChem CID 160650745) has the molecular formula C150H114FO4S7+7 and a molecular weight of 2224.02 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium
PubChem CID160650745
Molecular FormulaC150H114FO4S7+7
Molecular Weight2224.02 g/mol
Exact Mass2221.67
IUPAC Name1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium
SMILESCC(=O)c1ccc2c(c1)c1ccccc1[s+]2-c1ccc(F)cc1.CC(=O)c1ccc2c(c1)c1ccccc1[s+]2-c1ccccc1.Cc1cc(C)c(-[s+]2c3ccccc3c3ccccc32)c(C)c1.Cc1ccc(-[s+]2c3ccccc3c3cc(C(=O)c4cccc(C)c4)ccc32)cc1.Cc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=C(c1ccccc1)c1ccc2c(c1)c1ccccc1[s+]2-c1ccccc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H21OS.C25H17OS.C21H19S.C20H14FOS.C20H15OS.C19H15S.C18H13S/c1-18-10-13-22(14-11-18)29-25-9-4-3-8-23(25)24-17-21(12-15-26(24)29)27(28)20-7-5-6-19(2)16-20;26-25(18-9-3-1-4-10-18)19-15-16-24-22(17-19)21-13-7-8-14-23(21)27(24)20-11-5-2-6-12-20;1-14-12-15(2)21(16(3)13-14)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22;1-13(22)14-6-11-20-18(12-14)17-4-2-3-5-19(17)23(20)16-9-7-15(21)8-10-16;1-14(21)15-11-12-20-18(13-15)17-9-5-6-10-19(17)22(20)16-7-3-2-4-8-16;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h3-17H,1-2H3;1-17H;4-13H,1-3H3;2-12H,1H3;2-13H,1H3;2-13H,1H3;1-13H/q7*+1
InChIKeyRKJMXOCQDIJWBA-UHFFFAOYSA-N
XLogP44.98
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002224.02
LogP ≤ 544.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium with MolForge

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Related Compounds

1-[5-(3-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone
CID 171589548
(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
CID 87107427
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
(4-fluorophenyl)-phenylmethanone
CID 161464622
bis(3-methylphenyl)methanone
CID 17848
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium?
The IUPAC name of 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium (CID 160650745) is 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium.
What is the SMILES notation for 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium?
The canonical SMILES for 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium is CC(=O)c1ccc2c(c1)c1ccccc1[s+]2-c1ccc(F)cc1.CC(=O)c1ccc2c(c1)c1ccccc1[s+]2-c1ccccc1.Cc1cc(C)c(-[s+]2c3ccccc3c3ccccc32)c(C)c1.Cc1ccc(-[s+]2c3ccccc3c3cc(C(=O)c4cccc(C)c4)ccc32)cc1.Cc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=C(c1ccccc1)c1ccc2c(c1)c1ccccc1[s+]2-c1ccccc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium?
The InChIKey is RKJMXOCQDIJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21OS.C25H17OS.C21H19S.C20H14FOS.C20H15OS.C19H15S.C18H13S/c1-18-10-13-22(14-11-18)29-25-9-4-3-8-23(25)24-17-21(12-15-26(24)29)27(28)20-7-5-6-19(2)16-20;26-25(18-9-3-1-4-10-18)19-15-16-24-22(17-19)21-13-7-8-14-23(21)27(24)20-11-5-2-6-12-20;1-14-12-15(2)21(16(3)13-14)22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22;1-13(22)14-6-11-20-18(12-14)17-4-2-3-5-19(17)23(20)16-9-7-15(21)8-10-16;1-14(21)15-11-12-20-18(13-15)17-9-5-6-10-19(17)22(20)16-7-3-2-4-8-16;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h3-17H,1-2H3;1-17H;4-13H,1-3H3;2-12H,1H3;2-13H,1H3;2-13H,1H3;1-13H/q7*+1.
What are the key properties of 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium?
1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium has a molecular weight of 2224.02 g/mol, XLogP of 44.98, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;(3-methylphenyl)-[5-(4-methylphenyl)dibenzothiophen-5-ium-2-yl]methanone;5-phenyldibenzothiophen-5-ium;1-(5-phenyldibenzothiophen-5-ium-2-yl)ethanone;phenyl-(5-phenyldibenzothiophen-5-ium-2-yl)methanone;5-(2,4,6-trimethylphenyl)dibenzothiophen-5-ium is sourced from PubChem (CID 160650745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).