2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium

C47H43IrN3O-2 — CID 176757415

IUPAC2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium
SMILESCCc1ccc2cc(-c3ccnc(-c4[c-]c5ccoc5c5nc(CC(C)C)ccc45)c3)ccc2c1.Cc1c[c-]c(-c2cc(C)c(C)cn2)cc1C.[Ir]
InChIInChI=1S/C32H27N2O.C15H16N.Ir/c1-4-21-5-6-23-17-24(8-7-22(23)16-21)25-11-13-33-30(19-25)29-18-26-12-14-35-32(26)31-28(29)10-9-27(34-31)15-20(2)3;1-10-5-6-14(7-11(10)2)15-8-12(3)13(4)9-16-15;/h5-14,16-17,19-20H,4,15H2,1-3H3;5,7-9H,1-4H3;/q2*-1;
InChIKeyLVWOTFCCNXGZBZ-UHFFFAOYSA-N
MW858.10 g/mol
LogP12.20
Rot. Bonds6

About 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium

2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium (PubChem CID 176757415) has the molecular formula C47H43IrN3O-2 and a molecular weight of 858.10 g/mol. Its IUPAC name is 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium.

Molecular Properties

Compound Name2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium
PubChem CID176757415
Molecular FormulaC47H43IrN3O-2
Molecular Weight858.10 g/mol
Exact Mass858.30
IUPAC Name2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium
SMILESCCc1ccc2cc(-c3ccnc(-c4[c-]c5ccoc5c5nc(CC(C)C)ccc45)c3)ccc2c1.Cc1c[c-]c(-c2cc(C)c(C)cn2)cc1C.[Ir]
InChIInChI=1S/C32H27N2O.C15H16N.Ir/c1-4-21-5-6-23-17-24(8-7-22(23)16-21)25-11-13-33-30(19-25)29-18-26-12-14-35-32(26)31-28(29)10-9-27(34-31)15-20(2)3;1-10-5-6-14(7-11(10)2)15-8-12(3)13(4)9-16-15;/h5-14,16-17,19-20H,4,15H2,1-3H3;5,7-9H,1-4H3;/q2*-1;
InChIKeyLVWOTFCCNXGZBZ-UHFFFAOYSA-N
XLogP12.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.10
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium with MolForge

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Related Compounds

2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium;5-[4-(4-methylphenyl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide
CID 176757418
2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium;5-[4-[(6-methylnaphthalen-2-yl)methyl]-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide
CID 176757246
2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium;5-[4-(naphthalen-2-ylmethyl)-2-pyridinyl]-4H-furo[3,2-h]quinolin-4-ide
CID 176757096
2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium;5-[4-(4-methylnaphthalen-2-yl)-2-pyridinyl]-4H-furo[3,2-h]quinolin-4-ide
CID 176757036
2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium;8-methyl-5-(3-methyl-2-pyridinyl)-4H-furo[3,2-h]quinolin-4-ide
CID 176757455
5-[5-(6-tert-butylnaphthalen-1-yl)-2-pyridinyl]-4H-furo[3,2-h]quinolin-4-ide;2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium
CID 176757387
4,5-dimethyl-2-(4-methyl-3-phenylbenzene-6-id-1-yl)pyridine;iridium;2-methyl-8-[4-(2-methylquinolin-6-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 176779310
8-(2-methylpropyl)-5-(5-naphthalen-1-yl-2-pyridinyl)furo[3,2-h]quinoline
CID 176757069
4,5-dimethyl-2-phenylpyridine;4-(4-ethylphenyl)-2-phenylpyridine;decakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;hexakis(4-phenyl-2-phenylpyridine);2-phenyl-4-(4-propan-2-ylphenyl)pyridine;2-phenyl-4-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;tetrakis(2-phenylpyridine)
CID 158178446
4,5-dimethyl-2-(4-methyl-3-phenylbenzene-6-id-1-yl)pyridine;iridium;2-methyl-8-[4-(3-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 176779006
4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;iridium;2-methyl-10-[4-(2-methylpropyl)-2-pyridinyl]-9H-[1]benzofuro[3,2-h]quinolin-9-ide
CID 172522717
4,5-dimethyl-2-(4-methyl-3-phenylbenzene-6-id-1-yl)pyridine;10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-9H-[1]benzofuro[3,2-h]isoquinolin-9-ide;iridium
CID 172522904

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium?
The IUPAC name of 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium (CID 176757415) is 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium.
What is the SMILES notation for 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium?
The canonical SMILES for 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium is CCc1ccc2cc(-c3ccnc(-c4[c-]c5ccoc5c5nc(CC(C)C)ccc45)c3)ccc2c1.Cc1c[c-]c(-c2cc(C)c(C)cn2)cc1C.[Ir].
What is the InChIKey of 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium?
The InChIKey is LVWOTFCCNXGZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N2O.C15H16N.Ir/c1-4-21-5-6-23-17-24(8-7-22(23)16-21)25-11-13-33-30(19-25)29-18-26-12-14-35-32(26)31-28(29)10-9-27(34-31)15-20(2)3;1-10-5-6-14(7-11(10)2)15-8-12(3)13(4)9-16-15;/h5-14,16-17,19-20H,4,15H2,1-3H3;5,7-9H,1-4H3;/q2*-1;.
What are the key properties of 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium?
2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium has a molecular weight of 858.10 g/mol, XLogP of 12.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylbenzene-6-id-1-yl)-4,5-dimethylpyridine;5-[4-(6-ethylnaphthalen-2-yl)-2-pyridinyl]-8-(2-methylpropyl)-4H-furo[3,2-h]quinolin-4-ide;iridium is sourced from PubChem (CID 176757415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).