bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol

About bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol

bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol (PubChem CID 157472281) has the molecular formula C112H109Ir3N7O-4 and a molecular weight of 2145.80 g/mol. Its IUPAC name is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol.

Molecular Properties

Compound Name	bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol
PubChem CID	157472281
Molecular Formula	C112H109Ir3N7O-4
Molecular Weight	2145.80 g/mol
Exact Mass	2146.76
IUPAC Name	bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol
SMILES	C=C(O)c1ccccn1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1cc(C)c2c(c1)-c1ccc3c(C(C)C)cccc3[n+]1C2.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChI	InChI=1S/3C21H22N.C20H20N.2C11H8N.C7H7NO.3Ir/c1-13(2)16-6-5-7-20-17(16)8-9-21-18-11-14(3)10-15(4)19(18)12-22(20)21;21-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-13(2)17-6-5-7-20-18(17)8-9-19(21-20)16-11-14(3)10-15(4)12-16;21-2-6-10(7-3-1)11-8-4-5-9-12-11;1-6(9)7-4-2-3-5-8-7;;;/h5-11,13H,12H2,1-4H3;25-9,11-12,14H,10H2,1-4H3;5-11,13H,1-4H3;21-6,8-9H;2-5,9H,1H2;;;/q+1;5*-1;;;;
InChIKey	XJCQUUVHDJBVAS-UHFFFAOYSA-N
XLogP	28.07
TPSA	101.45 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	12
Heavy Atoms	123
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2145.80
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol?

The IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol (CID 157472281) is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol.

What is the SMILES notation for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol?

The canonical SMILES for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol is C=C(O)c1ccccn1.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1cc(C)c2c(c1)-c1ccc3c(C(C)C)cccc3[n+]1C2.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol?

The InChIKey is XJCQUUVHDJBVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H22N.C20H20N.2C11H8N.C7H7NO.3Ir/c1-13(2)16-6-5-7-20-17(16)8-9-21-18-11-14(3)10-15(4)19(18)12-22(20)21;2*1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-13(2)17-6-5-7-20-18(17)8-9-19(21-20)16-11-14(3)10-15(4)12-16;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-6(9)7-4-2-3-5-8-7;;;/h5-11,13H,12H2,1-4H3;2*5-9,11-12,14H,10H2,1-4H3;5-11,13H,1-4H3;2*1-6,8-9H;2-5,9H,1H2;;;/q+1;5*-1;;;;.

What are the key properties of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol?

Where does this data come from?

All data for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;8,10-dimethyl-4-propan-2-yl-11H-isoindolo[2,1-a]quinolin-12-ium;tris(iridium);bis(2-phenylpyridine);1-pyridin-2-ylethenol is sourced from PubChem (CID 157472281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).