1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium

C27H22IrN2-2 — CID 140794449

IUPAC1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium
SMILESCc1ccccc1-c1ccc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.[Ir]
InChIInChI=1S/C27H22N2.Ir/c1-20-10-6-8-14-24(20)22-16-17-26-27(18-22)28(23-12-4-3-5-13-23)19-29(26)25-15-9-7-11-21(25)2;/h3-12,14-19H,1-2H3;/q-2;
InChIKeyWVGYWTICOVNHLZ-UHFFFAOYSA-N
MW566.70 g/mol
LogP7.18
Rot. Bonds3

About 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium

1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium (PubChem CID 140794449) has the molecular formula C27H22IrN2-2 and a molecular weight of 566.70 g/mol. Its IUPAC name is 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium.

Molecular Properties

Compound Name1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium
PubChem CID140794449
Molecular FormulaC27H22IrN2-2
Molecular Weight566.70 g/mol
Exact Mass567.14
IUPAC Name1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium
SMILESCc1ccccc1-c1ccc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.[Ir]
InChIInChI=1S/C27H22N2.Ir/c1-20-10-6-8-14-24(20)22-16-17-26-27(18-22)28(23-12-4-3-5-13-23)19-29(26)25-15-9-7-11-21(25)2;/h3-12,14-19H,1-2H3;/q-2;
InChIKeyWVGYWTICOVNHLZ-UHFFFAOYSA-N
XLogP7.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide
CID 158893903
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 170209546
3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide
CID 159417650
1-[4-[2-[3,5-bis[2-[4-[3-(2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]-3-(2,6-dimethylphenyl)-2H-benzimidazol-2-ide;1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazol-2-ide;bis(iridium)
CID 159416754
4-(2,6-dimethylphenyl)-3-(2-methylphenyl)-5-phenyl-1,2,4-triazole;iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 140736391
pentakis(iridium);5-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;6-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide
CID 158949725
osmium;1,5,6-trimethyl-3-phenyl-2H-benzimidazol-2-ide;bis(tri(propan-2-yl)phosphanium)
CID 147264576
bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
CID 172514289
1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
CID 140837724
iridium(3+);2-[3-phenyl-6-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]phenol;2-[3-(4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
CID 171438785
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
1,3-di(phenyl)-2H-benzimidazol-2-ide;osmium(7+);1-(phenylmethyl)-3-[[3-(phenylmethyl)-2H-benzimidazol-2-id-1-yl]methyl]-2H-benzimidazol-2-ide
CID 140903731

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium?
The IUPAC name of 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium (CID 140794449) is 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium.
What is the SMILES notation for 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium?
The canonical SMILES for 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium is Cc1ccccc1-c1ccc2c(c1)N(c1[c-]cccc1)[CH-]N2c1ccccc1C.[Ir].
What is the InChIKey of 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium?
The InChIKey is WVGYWTICOVNHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2.Ir/c1-20-10-6-8-14-24(20)22-16-17-26-27(18-22)28(23-12-4-3-5-13-23)19-29(26)25-15-9-7-11-21(25)2;/h3-12,14-19H,1-2H3;/q-2;.
What are the key properties of 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium?
1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium has a molecular weight of 566.70 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;iridium is sourced from PubChem (CID 140794449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).