10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C31H18IrN3S- — CID 59359414

IUPAC10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILES[Ir].[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)s2)cc2c1c1nccn1c1ccccc21
InChIInChI=1S/C31H18N3S.Ir/c1-4-10-26-23(9-1)25-19-20(13-14-24(25)31-32-17-18-33(26)31)29-15-16-30(35-29)34-27-11-5-2-7-21(27)22-8-3-6-12-28(22)34;/h1-13,15-19H;/q-1;
InChIKeyOKGONCPXAFDLQN-UHFFFAOYSA-N
MW656.79 g/mol
LogP8.26
Rot. Bonds2

About 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59359414) has the molecular formula C31H18IrN3S- and a molecular weight of 656.79 g/mol. Its IUPAC name is 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59359414
Molecular FormulaC31H18IrN3S-
Molecular Weight656.79 g/mol
Exact Mass657.09
IUPAC Name10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILES[Ir].[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)s2)cc2c1c1nccn1c1ccccc21
InChIInChI=1S/C31H18N3S.Ir/c1-4-10-26-23(9-1)25-19-20(13-14-24(25)31-32-17-18-33(26)31)29-15-16-30(35-29)34-27-11-5-2-7-21(27)22-8-3-6-12-28(22)34;/h1-13,15-19H;/q-1;
InChIKeyOKGONCPXAFDLQN-UHFFFAOYSA-N
XLogP8.26
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 58.26
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_3', 'substructure': 'N/A'}

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Related Compounds

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2-Cyclohexyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 53299530
6-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155568714
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Frequently Asked Questions

What is the IUPAC name of 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59359414) is 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is [Ir].[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)s2)cc2c1c1nccn1c1ccccc21.
What is the InChIKey of 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is OKGONCPXAFDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N3S.Ir/c1-4-10-26-23(9-1)25-19-20(13-14-24(25)31-32-17-18-33(26)31)29-15-16-30(35-29)34-27-11-5-2-7-21(27)22-8-3-6-12-28(22)34;/h1-13,15-19H;/q-1;.
What are the key properties of 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 656.79 g/mol, XLogP of 8.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59359414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).