2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole

C42H26N4O2 — CID 58037465

IUPAC2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole
SMILESc1ccc(-c2nccn2-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8ccnc8-c8ccccc8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C42H26N4O2/c1-3-7-27(8-4-1)41-43-19-21-45(41)31-13-17-39-35(25-31)33-23-29(11-15-37(33)47-39)30-12-16-38-34(24-30)36-26-32(14-18-40(36)48-38)46-22-20-44-42(46)28-9-5-2-6-10-28/h1-26H
InChIKeyAQCXYWNVKZUANY-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.86
Rot. Bonds5

About 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole

2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole (PubChem CID 58037465) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole.

Molecular Properties

Compound Name2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole
PubChem CID58037465
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole
SMILESc1ccc(-c2nccn2-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8ccnc8-c8ccccc8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C42H26N4O2/c1-3-7-27(8-4-1)41-43-19-21-45(41)31-13-17-39-35(25-31)33-23-29(11-15-37(33)47-39)30-12-16-38-34(24-30)36-26-32(14-18-40(36)48-38)46-22-20-44-42(46)28-9-5-2-6-10-28/h1-26H
InChIKeyAQCXYWNVKZUANY-UHFFFAOYSA-N
XLogP10.86
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole?
The IUPAC name of 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole (CID 58037465) is 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole.
What is the SMILES notation for 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole?
The canonical SMILES for 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole is c1ccc(-c2nccn2-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8ccnc8-c8ccccc8)cc7c6c5)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole?
The InChIKey is AQCXYWNVKZUANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-3-7-27(8-4-1)41-43-19-21-45(41)31-13-17-39-35(25-31)33-23-29(11-15-37(33)47-39)30-12-16-38-34(24-30)36-26-32(14-18-40(36)48-38)46-22-20-44-42(46)28-9-5-2-6-10-28/h1-26H.
What are the key properties of 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole?
2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole has a molecular weight of 618.70 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[8-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]imidazole is sourced from PubChem (CID 58037465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).