10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C152H161F5N12O3Pt10S4-30 — CID 160703119

IUPAC10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.COC.Cc1c[c-]c(-c2ccccn2)n1C.FC(F)(F)c1ccc[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C20H17N2O2S.C15H10N.2C13H8NS.C13H8N.C12H7F3N.C11H6F2N.C11H11N2.C11H8N.C9H6NS.C2H6O.C2H6.20CH3.10Pt/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-9-6-7-11(13(9)2)10-5-3-4-8-12-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-3-2;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-10,12H,3-4H2,1-2H3;1-6,8-11H;1-8H;1-6,8-9H;1-5,7-9H;1-4,6-8H;1-4,6-7H;3-6,8H,1-2H3;1-6,8-9H;1-4,6-7H;1-2H3;1-2H3;20*1H3;;;;;;;;;;/q10*-1;;;20*-1;;;;;;;;;;
InChIKeyRCTGAUCOBPOMJF-UHFFFAOYSA-N
MW4378.08 g/mol
LogP43.15
Rot. Bonds12

About 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine

10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 160703119) has the molecular formula C152H161F5N12O3Pt10S4-30 and a molecular weight of 4378.08 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID160703119
Molecular FormulaC152H161F5N12O3Pt10S4-30
Molecular Weight4378.08 g/mol
Exact Mass4374.83
IUPAC Name10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.COC.Cc1c[c-]c(-c2ccccn2)n1C.FC(F)(F)c1ccc[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C20H17N2O2S.C15H10N.2C13H8NS.C13H8N.C12H7F3N.C11H6F2N.C11H11N2.C11H8N.C9H6NS.C2H6O.C2H6.20CH3.10Pt/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-9-6-7-11(13(9)2)10-5-3-4-8-12-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-3-2;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-10,12H,3-4H2,1-2H3;1-6,8-11H;1-8H;1-6,8-9H;1-5,7-9H;1-4,6-8H;1-4,6-7H;3-6,8H,1-2H3;1-6,8-9H;1-4,6-7H;1-2H3;1-2H3;20*1H3;;;;;;;;;;/q10*-1;;;20*-1;;;;;;;;;;
InChIKeyRCTGAUCOBPOMJF-UHFFFAOYSA-N
XLogP43.15
TPSA176.51 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004378.08
LogP ≤ 543.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 160703119) is 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC.CCN(CC)c1ccc2[c-]c(-c3nc4ccccc4s3)c(=O)oc2c1.COC.Cc1c[c-]c(-c2ccccn2)n1C.FC(F)(F)c1ccc[c-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is RCTGAUCOBPOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O2S.C15H10N.2C13H8NS.C13H8N.C12H7F3N.C11H6F2N.C11H11N2.C11H8N.C9H6NS.C2H6O.C2H6.20CH3.10Pt/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-9-6-7-11(13(9)2)10-5-3-4-8-12-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-3-2;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-10,12H,3-4H2,1-2H3;1-6,8-11H;1-8H;1-6,8-9H;1-5,7-9H;1-4,6-8H;1-4,6-7H;3-6,8H,1-2H3;1-6,8-9H;1-4,6-7H;1-2H3;1-2H3;20*1H3;;;;;;;;;;/q10*-1;;;20*-1;;;;;;;;;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 4378.08 g/mol, XLogP of 43.15, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(1,5-dimethyl-3H-pyrrol-3-id-2-yl)pyridine;ethane;methoxymethane;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-phenylquinoline;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 160703119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).