8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C55H46GeIrN4O2-2 — CID 156669008

IUPAC8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc3c(c2)oc2cc(C(C)(C)C)ccc23)c2oc3nc(-c4ccccc4)ccc3c12.[Ir]
InChIInChI=1S/C41H30N3O2.C14H16GeN.Ir/c1-24-14-17-31(38-37(24)30-20-21-32(43-40(30)46-38)25-10-6-5-7-11-25)39-42-33-12-8-9-13-34(33)44(39)27-16-19-29-28-18-15-26(41(2,3)4)22-35(28)45-36(29)23-27;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-16,18-23H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyADBHCRFXQFAKIK-UHFFFAOYSA-N
MW1059.83 g/mol
LogP14.05
Rot. Bonds5

About 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156669008) has the molecular formula C55H46GeIrN4O2-2 and a molecular weight of 1059.83 g/mol. Its IUPAC name is 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156669008
Molecular FormulaC55H46GeIrN4O2-2
Molecular Weight1059.83 g/mol
Exact Mass1061.25
IUPAC Name8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc3c(c2)oc2cc(C(C)(C)C)ccc23)c2oc3nc(-c4ccccc4)ccc3c12.[Ir]
InChIInChI=1S/C41H30N3O2.C14H16GeN.Ir/c1-24-14-17-31(38-37(24)30-20-21-32(43-40(30)46-38)25-10-6-5-7-11-25)39-42-33-12-8-9-13-34(33)44(39)27-16-19-29-28-18-15-26(41(2,3)4)22-35(28)45-36(29)23-27;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-16,18-23H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyADBHCRFXQFAKIK-UHFFFAOYSA-N
XLogP14.05
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156669008) is 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc3c(c2)oc2cc(C(C)(C)C)ccc23)c2oc3nc(-c4ccccc4)ccc3c12.[Ir].
What is the InChIKey of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is ADBHCRFXQFAKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N3O2.C14H16GeN.Ir/c1-24-14-17-31(38-37(24)30-20-21-32(43-40(30)46-38)25-10-6-5-7-11-25)39-42-33-12-8-9-13-34(33)44(39)27-16-19-29-28-18-15-26(41(2,3)4)22-35(28)45-36(29)23-27;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-16,18-23H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1059.83 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156669008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).