8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

C32H27IrN2- — CID 59358903

IUPAC8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILESCc1ccc(-c2cc[c-]c3c2c2cc(-c4c(C)cccc4C)ccc2c2cc(C)nn32)c(C)c1.[Ir]
InChIInChI=1S/C32H27N2.Ir/c1-19-12-14-25(22(4)16-19)27-10-7-11-29-32(27)28-18-24(31-20(2)8-6-9-21(31)3)13-15-26(28)30-17-23(5)33-34(29)30;/h6-10,12-18H,1-5H3;/q-1;
InChIKeyAYXNFVKUJWEMCO-UHFFFAOYSA-N
MW631.80 g/mol
LogP8.31
Rot. Bonds2

About 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (PubChem CID 59358903) has the molecular formula C32H27IrN2- and a molecular weight of 631.80 g/mol. Its IUPAC name is 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.

Molecular Properties

Compound Name8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
PubChem CID59358903
Molecular FormulaC32H27IrN2-
Molecular Weight631.80 g/mol
Exact Mass632.18
IUPAC Name8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILESCc1ccc(-c2cc[c-]c3c2c2cc(-c4c(C)cccc4C)ccc2c2cc(C)nn32)c(C)c1.[Ir]
InChIInChI=1S/C32H27N2.Ir/c1-19-12-14-25(22(4)16-19)27-10-7-11-29-32(27)28-18-24(31-20(2)8-6-9-21(31)3)13-15-26(28)30-17-23(5)33-34(29)30;/h6-10,12-18H,1-5H3;/q-1;
InChIKeyAYXNFVKUJWEMCO-UHFFFAOYSA-N
XLogP8.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.80
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium;2,5,6-trimethyl-8-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 59359178
8-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-f]phenanthridine
CID 59359208
iridium;6-(2,4,6-trimethylphenyl)-8-(1,2,5-trimethylpyrrol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 59359304
9-(2,6-dimethylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358812
3-(2,4-dimethylphenyl)-7-[3-(2,4-dimethylphenyl)-10,12-dimethyl-[1,2,4]triazolo[4,3-f]phenanthridin-7-yl]-10,12-dimethyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 163481587
9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole
CID 166084545
2,5,8,11-tetrakis[2,6-bis(2,6-dimethylphenyl)-4-methylphenyl]perylene
CID 162774562
8,31-bis(2,3-dimethylphenyl)-14,25-bis(2,4,6-trimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene
CID 58402036
8,31-bis(2-methylphenyl)-14,25-bis(2,4,6-trimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene
CID 58401990
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
9-[2-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-(2,4-dimethylphenyl)phenyl]-3-isocyanophenyl]-3,6-bis(2-methylphenyl)carbazole
CID 159953116
iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 59359036

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The IUPAC name of 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (CID 59358903) is 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.
What is the SMILES notation for 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The canonical SMILES for 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is Cc1ccc(-c2cc[c-]c3c2c2cc(-c4c(C)cccc4C)ccc2c2cc(C)nn32)c(C)c1.[Ir].
What is the InChIKey of 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The InChIKey is AYXNFVKUJWEMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N2.Ir/c1-19-12-14-25(22(4)16-19)27-10-7-11-29-32(27)28-18-24(31-20(2)8-6-9-21(31)3)13-15-26(28)30-17-23(5)33-34(29)30;/h6-10,12-18H,1-5H3;/q-1;.
What are the key properties of 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium has a molecular weight of 631.80 g/mol, XLogP of 8.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylphenyl)-6-(2,6-dimethylphenyl)-2-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is sourced from PubChem (CID 59358903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).