2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole

C42H26N4OS — CID 58059095

IUPAC2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole
SMILESc1ccc(-c2nccn2-c2ccc3sc4ccc(-c5ccc6oc7c(-n8ccnc8-c8ccccc8)cccc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C42H26N4OS/c1-3-8-27(9-4-1)41-43-20-22-45(41)31-16-19-39-35(26-31)34-25-30(15-18-38(34)48-39)29-14-17-37-33(24-29)32-12-7-13-36(40(32)47-37)46-23-21-44-42(46)28-10-5-2-6-11-28/h1-26H
InChIKeyKYKUZFJYSGFHBL-UHFFFAOYSA-N
MW634.76 g/mol
LogP11.33
Rot. Bonds5

About 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole

2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole (PubChem CID 58059095) has the molecular formula C42H26N4OS and a molecular weight of 634.76 g/mol. Its IUPAC name is 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole.

Molecular Properties

Compound Name2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole
PubChem CID58059095
Molecular FormulaC42H26N4OS
Molecular Weight634.76 g/mol
Exact Mass634.18
IUPAC Name2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole
SMILESc1ccc(-c2nccn2-c2ccc3sc4ccc(-c5ccc6oc7c(-n8ccnc8-c8ccccc8)cccc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C42H26N4OS/c1-3-8-27(9-4-1)41-43-20-22-45(41)31-16-19-39-35(26-31)34-25-30(15-18-38(34)48-39)29-14-17-37-33(24-29)32-12-7-13-36(40(32)47-37)46-23-21-44-42(46)28-10-5-2-6-11-28/h1-26H
InChIKeyKYKUZFJYSGFHBL-UHFFFAOYSA-N
XLogP11.33
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.76
LogP ≤ 511.33
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-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole?
The IUPAC name of 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole (CID 58059095) is 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole.
What is the SMILES notation for 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole?
The canonical SMILES for 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole is c1ccc(-c2nccn2-c2ccc3sc4ccc(-c5ccc6oc7c(-n8ccnc8-c8ccccc8)cccc7c6c5)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole?
The InChIKey is KYKUZFJYSGFHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4OS/c1-3-8-27(9-4-1)41-43-20-22-45(41)31-16-19-39-35(26-31)34-25-30(15-18-38(34)48-39)29-14-17-37-33(24-29)32-12-7-13-36(40(32)47-37)46-23-21-44-42(46)28-10-5-2-6-11-28/h1-26H.
What are the key properties of 2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole?
2-phenyl-1-[8-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole has a molecular weight of 634.76 g/mol, XLogP of 11.33, 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-[6-(2-phenylimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]imidazole is sourced from PubChem (CID 58059095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).