9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

C29H20IrN3- — CID 59358758

IUPAC9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILESCCn1c2ccccc2c2cc(-c3c[c-]c4c(c3)c3ccccc3c3ccnn43)ccc21.[Ir]
InChIInChI=1S/C29H20N3.Ir/c1-2-31-26-10-6-5-9-23(26)25-18-19(11-13-27(25)31)20-12-14-28-24(17-20)21-7-3-4-8-22(21)29-15-16-30-32(28)29;/h3-13,15-18H,2H2,1H3;/q-1;
InChIKeyFFEXXLGIOGGPRV-UHFFFAOYSA-N
MW602.72 g/mol
LogP7.23
Rot. Bonds2

About 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium

9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (PubChem CID 59358758) has the molecular formula C29H20IrN3- and a molecular weight of 602.72 g/mol. Its IUPAC name is 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.

Molecular Properties

Compound Name9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
PubChem CID59358758
Molecular FormulaC29H20IrN3-
Molecular Weight602.72 g/mol
Exact Mass603.13
IUPAC Name9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
SMILESCCn1c2ccccc2c2cc(-c3c[c-]c4c(c3)c3ccccc3c3ccnn43)ccc21.[Ir]
InChIInChI=1S/C29H20N3.Ir/c1-2-31-26-10-6-5-9-23(26)25-18-19(11-13-27(25)31)20-12-14-28-24(17-20)21-7-3-4-8-22(21)29-15-16-30-32(28)29;/h3-13,15-18H,2H2,1H3;/q-1;
InChIKeyFFEXXLGIOGGPRV-UHFFFAOYSA-N
XLogP7.23
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.72
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
CID 58556574
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
9-ethyl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189334
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
10-(4-carbazol-9-ylphenyl)-23-ethyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417758
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635

Frequently Asked Questions

What is the IUPAC name of 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The IUPAC name of 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium (CID 59358758) is 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium.
What is the SMILES notation for 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The canonical SMILES for 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is CCn1c2ccccc2c2cc(-c3c[c-]c4c(c3)c3ccccc3c3ccnn43)ccc21.[Ir].
What is the InChIKey of 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
The InChIKey is FFEXXLGIOGGPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N3.Ir/c1-2-31-26-10-6-5-9-23(26)25-18-19(11-13-27(25)31)20-12-14-28-24(17-20)21-7-3-4-8-22(21)29-15-16-30-32(28)29;/h3-13,15-18H,2H2,1H3;/q-1;.
What are the key properties of 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium?
9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium has a molecular weight of 602.72 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium is sourced from PubChem (CID 59358758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).