8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)

C130H131Ge3Ir3N9O3-6 — CID 158179057

IUPAC8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)
SMILESCC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2cncc(-c4ccccc4)c23)c1.CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cncc(-c4ccccc4)c23)c1.CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2cnc(-c4ccccc4)cc23)c1.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H23N2O.2C26H21N2O.3C17H22GeN.3Ir/c1-27(2,3)15-18-12-13-29-23(14-18)20-10-7-11-21-25-22(19-8-5-4-6-9-19)16-28-17-24(25)30-26(20)21;1-26(2,3)18-12-13-28-22(14-18)19-10-7-11-20-24-21(17-8-5-4-6-9-17)15-27-16-23(24)29-25(19)20;1-17(2)13-18-11-12-27-24(14-18)21-10-6-9-20-22-15-23(19-7-4-3-5-8-19)28-16-25(22)29-26(20)21;3*1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;;;/h4-9,11-14,16-17H,15H2,1-3H3;4-9,11-16H,1-3H3;3-9,11-12,14-17H,13H2,1-2H3;3*6-9,11-13H,1-5H3;;;/q6*-1;;;
InChIKeyRYGFSVVNHIKRMC-UHFFFAOYSA-N
MW2662.02 g/mol
LogP33.26
Rot. Bonds18

About 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)

8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane) (PubChem CID 158179057) has the molecular formula C130H131Ge3Ir3N9O3-6 and a molecular weight of 2662.02 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane).

Molecular Properties

Compound Name8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)
PubChem CID158179057
Molecular FormulaC130H131Ge3Ir3N9O3-6
Molecular Weight2662.02 g/mol
Exact Mass2666.69
IUPAC Name8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)
SMILESCC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2cncc(-c4ccccc4)c23)c1.CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cncc(-c4ccccc4)c23)c1.CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2cnc(-c4ccccc4)cc23)c1.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H23N2O.2C26H21N2O.3C17H22GeN.3Ir/c1-27(2,3)15-18-12-13-29-23(14-18)20-10-7-11-21-25-22(19-8-5-4-6-9-19)16-28-17-24(25)30-26(20)21;1-26(2,3)18-12-13-28-22(14-18)19-10-7-11-20-24-21(17-8-5-4-6-9-17)15-27-16-23(24)29-25(19)20;1-17(2)13-18-11-12-27-24(14-18)21-10-6-9-20-22-15-23(19-7-4-3-5-8-19)28-16-25(22)29-26(20)21;3*1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;;;/h4-9,11-14,16-17H,15H2,1-3H3;4-9,11-16H,1-3H3;3-9,11-12,14-17H,13H2,1-2H3;3*6-9,11-13H,1-5H3;;;/q6*-1;;;
InChIKeyRYGFSVVNHIKRMC-UHFFFAOYSA-N
XLogP33.26
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002662.02
LogP ≤ 533.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)?
The IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane) (CID 158179057) is 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane).
What is the SMILES notation for 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)?
The canonical SMILES for 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane) is CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2cncc(-c4ccccc4)c23)c1.CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cncc(-c4ccccc4)c23)c1.CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2cnc(-c4ccccc4)cc23)c1.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[Ir].[Ir].
What is the InChIKey of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)?
The InChIKey is RYGFSVVNHIKRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2O.2C26H21N2O.3C17H22GeN.3Ir/c1-27(2,3)15-18-12-13-29-23(14-18)20-10-7-11-21-25-22(19-8-5-4-6-9-19)16-28-17-24(25)30-26(20)21;1-26(2,3)18-12-13-28-22(14-18)19-10-7-11-20-24-21(17-8-5-4-6-9-17)15-27-16-23(24)29-25(19)20;1-17(2)13-18-11-12-27-24(14-18)21-10-6-9-20-22-15-23(19-7-4-3-5-8-19)28-16-25(22)29-26(20)21;3*1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;;;/h4-9,11-14,16-17H,15H2,1-3H3;4-9,11-16H,1-3H3;3-9,11-12,14-17H,13H2,1-2H3;3*6-9,11-13H,1-5H3;;;/q6*-1;;;.
What are the key properties of 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane)?
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane) has a molecular weight of 2662.02 g/mol, XLogP of 33.26, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butyl-2-pyridinyl)-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-4-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-3-phenyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;tris(trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane) is sourced from PubChem (CID 158179057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).