2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole

C48H30N4O2 — CID 58037499

IUPAC2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole
SMILESc1ccc(-c2nccn2-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9ccnc9-c9ccccc9)cc8c7c6)c5)cc4c3c2)cc1
InChIInChI=1S/C48H30N4O2/c1-3-8-31(9-4-1)47-49-22-24-51(47)37-16-20-45-41(29-37)39-27-35(14-18-43(39)53-45)33-12-7-13-34(26-33)36-15-19-44-40(28-36)42-30-38(17-21-46(42)54-44)52-25-23-50-48(52)32-10-5-2-6-11-32/h1-30H
InChIKeyNEVQMFKWWQYNTD-UHFFFAOYSA-N
MW694.79 g/mol
LogP12.52
Rot. Bonds6

About 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole

2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole (PubChem CID 58037499) has the molecular formula C48H30N4O2 and a molecular weight of 694.79 g/mol. Its IUPAC name is 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole.

Molecular Properties

Compound Name2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole
PubChem CID58037499
Molecular FormulaC48H30N4O2
Molecular Weight694.79 g/mol
Exact Mass694.24
IUPAC Name2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole
SMILESc1ccc(-c2nccn2-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9ccnc9-c9ccccc9)cc8c7c6)c5)cc4c3c2)cc1
InChIInChI=1S/C48H30N4O2/c1-3-8-31(9-4-1)47-49-22-24-51(47)37-16-20-45-41(29-37)39-27-35(14-18-43(39)53-45)33-12-7-13-34(26-33)36-15-19-44-40(28-36)42-30-38(17-21-46(42)54-44)52-25-23-50-48(52)32-10-5-2-6-11-32/h1-30H
InChIKeyNEVQMFKWWQYNTD-UHFFFAOYSA-N
XLogP12.52
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 512.52
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-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole?
The IUPAC name of 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole (CID 58037499) is 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole.
What is the SMILES notation for 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole?
The canonical SMILES for 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole is c1ccc(-c2nccn2-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9ccnc9-c9ccccc9)cc8c7c6)c5)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole?
The InChIKey is NEVQMFKWWQYNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O2/c1-3-8-31(9-4-1)47-49-22-24-51(47)37-16-20-45-41(29-37)39-27-35(14-18-43(39)53-45)33-12-7-13-34(26-33)36-15-19-44-40(28-36)42-30-38(17-21-46(42)54-44)52-25-23-50-48(52)32-10-5-2-6-11-32/h1-30H.
What are the key properties of 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole?
2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole has a molecular weight of 694.79 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[8-[3-[8-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]imidazole is sourced from PubChem (CID 58037499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).