iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole

C38H25IrN5-2 — CID 140812307

IUPACiridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole
SMILES[Ir].[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ncnc(-c2ccccc2)n1
InChIInChI=1S/C23H15N2.C15H10N3.Ir/c1-2-8-17(9-3-1)21-15-14-18(16-24-21)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;/h1-8,10-16H;1-9,11H;/q2*-1;
InChIKeyBEFRWHQUXIFCFK-UHFFFAOYSA-N
MW743.87 g/mol
LogP8.65
Rot. Bonds4

About iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole

iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole (PubChem CID 140812307) has the molecular formula C38H25IrN5-2 and a molecular weight of 743.87 g/mol. Its IUPAC name is iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Nameiridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole
PubChem CID140812307
Molecular FormulaC38H25IrN5-2
Molecular Weight743.87 g/mol
Exact Mass744.18
IUPAC Nameiridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole
SMILES[Ir].[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ncnc(-c2ccccc2)n1
InChIInChI=1S/C23H15N2.C15H10N3.Ir/c1-2-8-17(9-3-1)21-15-14-18(16-24-21)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;/h1-8,10-16H;1-9,11H;/q2*-1;
InChIKeyBEFRWHQUXIFCFK-UHFFFAOYSA-N
XLogP8.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
9-[6-(2,6-diphenylpyrimidin-4-yl)-3-pyridinyl]carbazole
CID 130359562
1-(5-carbazol-9-yl-2-pyridinyl)-2-[5-(4-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]ethane-1,2-dithione
CID 163434984
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 118699054
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163560758
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;iridium(3+);4-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 159269416

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole?
The IUPAC name of iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole (CID 140812307) is iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole is [Ir].[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ncnc(-c2ccccc2)n1.
What is the InChIKey of iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole?
The InChIKey is BEFRWHQUXIFCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N2.C15H10N3.Ir/c1-2-8-17(9-3-1)21-15-14-18(16-24-21)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;/h1-8,10-16H;1-9,11H;/q2*-1;.
What are the key properties of iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole?
iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole has a molecular weight of 743.87 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-phenyl-2-phenyl-1,3,5-triazine;9-(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 140812307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).