Question 1

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide?

Accepted Answer

The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide (CID 158270993) is 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide.

Question 2

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide?

Accepted Answer

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide is C#CC1=C(C#C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5C#C)C(C#C)=C4CC)c(CC)c3CC.C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[Ir].[Os].[Pt+2].[Rh].[Rh].[Rh].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.

Question 3

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide?

Accepted Answer

The InChIKey is PVEWQMPUXNHQDS-OWRGPXOZSA-N. The full InChI is InChI=1S/C36H28N4.C26H22P2.C22H16N2.C13H8N.C13H12N.C12H6F4N.C12H10N.2C11H8N.2C6H5NO2.3C5H12O2.2C4HF7O2.3Ir.Os.Pt.3Rh.8H2/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;;;;;;;;;;;;/h1-2,4,7,17-20H,11,13-14,16H2,3,5-6,8H3;1-22H;1-16H;1-5,7-9H;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;2*1-6,8-9H;2*1-4H,(H,8,9);3*4-7H,3H2,1-2H3;2*(H,12,13);;;;;;;;;8*1H/q-2;;;6*-1;;;;;;;;;;;;+2;;;;;;;;;;;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

Question 4

What are the key properties of 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide?

Accepted Answer

10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide has a molecular weight of 4572.23 g/mol, XLogP of 39.73, 31 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide is sourced from PubChem (CID 158270993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide
PubChem CID	158270993
Molecular Formula	C191H182F18Ir3N14O14OsP2PtRh3-6
Molecular Weight	4572.23 g/mol
Exact Mass	4573.85
IUPAC Name	10H-benzo[h]quinolin-10-ide;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);molecular hydrogen;osmium;tris(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2-phenylpyridine);platinum(2+);bis(pyridine-2-carboxylic acid);tris(rhodium);2,3,7,13-tetraethyl-8,12,17,18-tetraethynylporphyrin-21,23-diide
SMILES	C#CC1=C(C#C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5C#C)C(C#C)=C4CC)c(CC)c3CC.C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[Ir].[Os].[Pt+2].[Rh].[Rh].[Rh].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChI	InChI=1S/C36H28N4.C26H22P2.C22H16N2.C13H8N.C13H12N.C12H6F4N.C12H10N.2C11H8N.2C6H5NO2.3C5H12O2.2C4HF7O2.3Ir.Os.Pt.3Rh.8H2/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;21-2-6-10(7-3-1)11-8-4-5-9-12-11;28-6(9)5-3-1-2-4-7-5;31-4(6)3-5(2)7;25-2(6,1(12)13)3(7,8)4(9,10)11;;;;;;;;;;;;;;;;/h1-2,4,7,17-20H,11,13-14,16H2,3,5-6,8H3;1-22H;1-16H;1-5,7-9H;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;21-6,8-9H;21-4H,(H,8,9);34-7H,3H2,1-2H3;2(H,12,13);;;;;;;;;81H/q-2;;;6-1;;;;;;;;;;;;+2;;;;;;;;;;;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey	PVEWQMPUXNHQDS-OWRGPXOZSA-N
XLogP	39.73
TPSA	459.12 Å²
H-Bond Donors	8
H-Bond Acceptors	24
Rotatable Bonds	31
Heavy Atoms	247
Complexity	—

Rule	Value
MW ≤ 500	4572.23
LogP ≤ 5	39.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Molecular Properties

Lipinski Rule of Five

Related Compounds

Frequently Asked Questions