2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole

C36H20F4N4 — CID 101367858

IUPAC2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole
SMILESFc1c(F)c(=C2N=C(c3ccccc3)C(c3ccccc3)=N2)c(F)c(F)c1=C1N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C36H20F4N4/c37-27-25(35-41-31(21-13-5-1-6-14-21)32(42-35)22-15-7-2-8-16-22)28(38)30(40)26(29(27)39)36-43-33(23-17-9-3-10-18-23)34(44-36)24-19-11-4-12-20-24/h1-20H
InChIKeyRRGXNBQDJISULY-UHFFFAOYSA-N
MW584.58 g/mol
LogP6.36
Rot. Bonds4

About 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole

2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole (PubChem CID 101367858) has the molecular formula C36H20F4N4 and a molecular weight of 584.58 g/mol. Its IUPAC name is 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole
PubChem CID101367858
Molecular FormulaC36H20F4N4
Molecular Weight584.58 g/mol
Exact Mass584.16
IUPAC Name2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole
SMILESFc1c(F)c(=C2N=C(c3ccccc3)C(c3ccccc3)=N2)c(F)c(F)c1=C1N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C36H20F4N4/c37-27-25(35-41-31(21-13-5-1-6-14-21)32(42-35)22-15-7-2-8-16-22)28(38)30(40)26(29(27)39)36-43-33(23-17-9-3-10-18-23)34(44-36)24-19-11-4-12-20-24/h1-20H
InChIKeyRRGXNBQDJISULY-UHFFFAOYSA-N
XLogP6.36
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.58
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole?
The IUPAC name of 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole (CID 101367858) is 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole.
What is the SMILES notation for 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole?
The canonical SMILES for 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole is Fc1c(F)c(=C2N=C(c3ccccc3)C(c3ccccc3)=N2)c(F)c(F)c1=C1N=C(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole?
The InChIKey is RRGXNBQDJISULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F4N4/c37-27-25(35-41-31(21-13-5-1-6-14-21)32(42-35)22-15-7-2-8-16-22)28(38)30(40)26(29(27)39)36-43-33(23-17-9-3-10-18-23)34(44-36)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole?
2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole has a molecular weight of 584.58 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]-4,5-diphenylimidazole is sourced from PubChem (CID 101367858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).