1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium

C37H35IrN2O- — CID 58400902

IUPAC1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium
SMILES[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc2oc3ccccc3c2c1C1CCCCC1
InChIInChI=1S/C37H35N2O.Ir/c1-4-14-25(15-5-1)29-24-33-35(28-20-10-13-23-32(28)40-33)34(26-16-6-2-7-17-26)36(29)39-31-22-12-11-21-30(31)38-37(39)27-18-8-3-9-19-27;/h3,8-13,18,20-26H,1-2,4-7,14-17H2;/q-1;
InChIKeyHBVKCKAZKIHXOZ-UHFFFAOYSA-N
MW715.92 g/mol
LogP10.48
Rot. Bonds4

About 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium

1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium (PubChem CID 58400902) has the molecular formula C37H35IrN2O- and a molecular weight of 715.92 g/mol. Its IUPAC name is 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium.

Molecular Properties

Compound Name1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium
PubChem CID58400902
Molecular FormulaC37H35IrN2O-
Molecular Weight715.92 g/mol
Exact Mass716.24
IUPAC Name1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium
SMILES[Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc2oc3ccccc3c2c1C1CCCCC1
InChIInChI=1S/C37H35N2O.Ir/c1-4-14-25(15-5-1)29-24-33-35(28-20-10-13-23-32(28)40-33)34(26-16-6-2-7-17-26)36(29)39-31-22-12-11-21-30(31)38-37(39)27-18-8-3-9-19-27;/h3,8-13,18,20-26H,1-2,4-7,14-17H2;/q-1;
InChIKeyHBVKCKAZKIHXOZ-UHFFFAOYSA-N
XLogP10.48
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.92
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[8-(6-Carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 89433789
9-[6-(8-Carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
CID 89433790
5-[4-(6-Fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324675
5-[4-[2-Phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327172
5-[4-[2-Phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327196
9-(3,5-Difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507898
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276701
3-[9-[6-(8-Fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276705
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276711
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276720
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276721
5-[8-(4-Fluorocarbazol-9-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 121419639

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium?
The IUPAC name of 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium (CID 58400902) is 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium.
What is the SMILES notation for 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium?
The canonical SMILES for 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium is [Ir].[c-]1ccccc1-c1nc2ccccc2n1-c1c(C2CCCCC2)cc2oc3ccccc3c2c1C1CCCCC1.
What is the InChIKey of 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium?
The InChIKey is HBVKCKAZKIHXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N2O.Ir/c1-4-14-25(15-5-1)29-24-33-35(28-20-10-13-23-32(28)40-33)34(26-16-6-2-7-17-26)36(29)39-31-22-12-11-21-30(31)38-37(39)27-18-8-3-9-19-27;/h3,8-13,18,20-26H,1-2,4-7,14-17H2;/q-1;.
What are the key properties of 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium?
1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium has a molecular weight of 715.92 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dicyclohexyldibenzofuran-2-yl)-2-phenylbenzimidazole;iridium is sourced from PubChem (CID 58400902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).