1,2-diphenylbenzimidazole;ethane;iridium;propane

C26H34IrN2 — CID 142394497

IUPAC1,2-diphenylbenzimidazole;ethane;iridium;propane
SMILESCC.CC.CCC.[Ir].c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2.C3H8.2C2H6.Ir/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-3-2;2*1-2;/h1-14H;3H2,1-2H3;2*1-2H3;
InChIKeyHXRRLDCCWROBHT-UHFFFAOYSA-N
MW566.79 g/mol
LogP8.16
Rot. Bonds2

About 1,2-diphenylbenzimidazole;ethane;iridium;propane

1,2-diphenylbenzimidazole;ethane;iridium;propane (PubChem CID 142394497) has the molecular formula C26H34IrN2 and a molecular weight of 566.79 g/mol. Its IUPAC name is 1,2-diphenylbenzimidazole;ethane;iridium;propane.

Molecular Properties

Compound Name1,2-diphenylbenzimidazole;ethane;iridium;propane
PubChem CID142394497
Molecular FormulaC26H34IrN2
Molecular Weight566.79 g/mol
Exact Mass567.24
IUPAC Name1,2-diphenylbenzimidazole;ethane;iridium;propane
SMILESCC.CC.CCC.[Ir].c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C19H14N2.C3H8.2C2H6.Ir/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-3-2;2*1-2;/h1-14H;3H2,1-2H3;2*1-2H3;
InChIKeyHXRRLDCCWROBHT-UHFFFAOYSA-N
XLogP8.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.79
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 132521570
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole
CID 59346192

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylbenzimidazole;ethane;iridium;propane?
The IUPAC name of 1,2-diphenylbenzimidazole;ethane;iridium;propane (CID 142394497) is 1,2-diphenylbenzimidazole;ethane;iridium;propane.
What is the SMILES notation for 1,2-diphenylbenzimidazole;ethane;iridium;propane?
The canonical SMILES for 1,2-diphenylbenzimidazole;ethane;iridium;propane is CC.CC.CCC.[Ir].c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylbenzimidazole;ethane;iridium;propane?
The InChIKey is HXRRLDCCWROBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2.C3H8.2C2H6.Ir/c1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-3-2;2*1-2;/h1-14H;3H2,1-2H3;2*1-2H3;.
What are the key properties of 1,2-diphenylbenzimidazole;ethane;iridium;propane?
1,2-diphenylbenzimidazole;ethane;iridium;propane has a molecular weight of 566.79 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylbenzimidazole;ethane;iridium;propane is sourced from PubChem (CID 142394497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).