4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline

C30H22IrN4-2 — CID 169032996

IUPAC4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline
SMILESCc1cnc(-c2[c-]cccc2)cc1C.[Ir].[c-]1ccccc1-c1ncc2cc3ccncc3cc2n1
InChIInChI=1S/C17H10N3.C13H12N.Ir/c1-2-4-12(5-3-1)17-19-11-15-8-13-6-7-18-10-14(13)9-16(15)20-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h1-4,6-11H;3-6,8-9H,1-2H3;/q2*-1;
InChIKeyPYRXXTRVKZKCJN-UHFFFAOYSA-N
MW630.75 g/mol
LogP6.81
Rot. Bonds2

About 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline

4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline (PubChem CID 169032996) has the molecular formula C30H22IrN4-2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline.

Molecular Properties

Compound Name4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline
PubChem CID169032996
Molecular FormulaC30H22IrN4-2
Molecular Weight630.75 g/mol
Exact Mass631.15
IUPAC Name4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline
SMILESCc1cnc(-c2[c-]cccc2)cc1C.[Ir].[c-]1ccccc1-c1ncc2cc3ccncc3cc2n1
InChIInChI=1S/C17H10N3.C13H12N.Ir/c1-2-4-12(5-3-1)17-19-11-15-8-13-6-7-18-10-14(13)9-16(15)20-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h1-4,6-11H;3-6,8-9H,1-2H3;/q2*-1;
InChIKeyPYRXXTRVKZKCJN-UHFFFAOYSA-N
XLogP6.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
4-hydroxypent-3-en-2-one;iridium;2-phenylpyrido[3,4-h]quinazoline
CID 161338404
iridium;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-methyl-5-phenyl-2-phenylpyridine
CID 140847681
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine
CID 140847642
carbanide;4-fluoro-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
CID 168794119
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium;3-phenylpyrido[4,3-f]quinazoline
CID 169033046

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline?
The IUPAC name of 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline (CID 169032996) is 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline.
What is the SMILES notation for 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline?
The canonical SMILES for 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline is Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[c-]1ccccc1-c1ncc2cc3ccncc3cc2n1.
What is the InChIKey of 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline?
The InChIKey is PYRXXTRVKZKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N3.C13H12N.Ir/c1-2-4-12(5-3-1)17-19-11-15-8-13-6-7-18-10-14(13)9-16(15)20-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h1-4,6-11H;3-6,8-9H,1-2H3;/q2*-1;.
What are the key properties of 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline?
4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline has a molecular weight of 630.75 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenylpyridine;iridium;2-phenylpyrido[4,3-g]quinazoline is sourced from PubChem (CID 169032996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).