8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium

C29H19IrN6S- — CID 162457847

IUPAC8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium
SMILES[Ir].c1ccc(-c2csc3c2nc2n(-c4cccc(N5[CH-]Cc6ccccc65)n4)c4ccccc4n32)nc1
InChIInChI=1S/C29H19N6S.Ir/c1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;/h1-14,16-18H,15H2;/q-1;
InChIKeyGZHSWGWAUWYXSN-UHFFFAOYSA-N
MW675.80 g/mol
LogP6.80
Rot. Bonds3

About 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium

8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium (PubChem CID 162457847) has the molecular formula C29H19IrN6S- and a molecular weight of 675.80 g/mol. Its IUPAC name is 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium.

Molecular Properties

Compound Name8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium
PubChem CID162457847
Molecular FormulaC29H19IrN6S-
Molecular Weight675.80 g/mol
Exact Mass676.10
IUPAC Name8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium
SMILES[Ir].c1ccc(-c2csc3c2nc2n(-c4cccc(N5[CH-]Cc6ccccc65)n4)c4ccccc4n32)nc1
InChIInChI=1S/C29H19N6S.Ir/c1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;/h1-14,16-18H,15H2;/q-1;
InChIKeyGZHSWGWAUWYXSN-UHFFFAOYSA-N
XLogP6.80
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium?
The IUPAC name of 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium (CID 162457847) is 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium.
What is the SMILES notation for 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium?
The canonical SMILES for 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium is [Ir].c1ccc(-c2csc3c2nc2n(-c4cccc(N5[CH-]Cc6ccccc65)n4)c4ccccc4n32)nc1.
What is the InChIKey of 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium?
The InChIKey is GZHSWGWAUWYXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N6S.Ir/c1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;/h1-14,16-18H,15H2;/q-1;.
What are the key properties of 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium?
8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium has a molecular weight of 675.80 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(2,3-dihydroindol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;iridium is sourced from PubChem (CID 162457847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).