2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

C50H32F2N4 — CID 19064212

IUPAC2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESFc1ccc2ccccc2c1C1(C2(c3c(F)ccc4ccccc34)N=C(c3ccccc3)C(c3ccccc3)=N2)N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C50H32F2N4/c51-41-31-29-33-17-13-15-27-39(33)43(41)49(53-45(35-19-5-1-6-20-35)46(54-49)36-21-7-2-8-22-36)50(44-40-28-16-14-18-34(40)30-32-42(44)52)55-47(37-23-9-3-10-24-37)48(56-50)38-25-11-4-12-26-38/h1-32H
InChIKeyKXDSSOPCZCEZBO-UHFFFAOYSA-N
MW726.83 g/mol
LogP11.26
Rot. Bonds7

About 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 19064212) has the molecular formula C50H32F2N4 and a molecular weight of 726.83 g/mol. Its IUPAC name is 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
PubChem CID19064212
Molecular FormulaC50H32F2N4
Molecular Weight726.83 g/mol
Exact Mass726.26
IUPAC Name2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESFc1ccc2ccccc2c1C1(C2(c3c(F)ccc4ccccc34)N=C(c3ccccc3)C(c3ccccc3)=N2)N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C50H32F2N4/c51-41-31-29-33-17-13-15-27-39(33)43(41)49(53-45(35-19-5-1-6-20-35)46(54-49)36-21-7-2-8-22-36)50(44-40-28-16-14-18-34(40)30-32-42(44)52)55-47(37-23-9-3-10-24-37)48(56-50)38-25-11-4-12-26-38/h1-32H
InChIKeyKXDSSOPCZCEZBO-UHFFFAOYSA-N
XLogP11.26
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.83
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The IUPAC name of 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (CID 19064212) is 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is Fc1ccc2ccccc2c1C1(C2(c3c(F)ccc4ccccc34)N=C(c3ccccc3)C(c3ccccc3)=N2)N=C(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The InChIKey is KXDSSOPCZCEZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F2N4/c51-41-31-29-33-17-13-15-27-39(33)43(41)49(53-45(35-19-5-1-6-20-35)46(54-49)36-21-7-2-8-22-36)50(44-40-28-16-14-18-34(40)30-32-42(44)52)55-47(37-23-9-3-10-24-37)48(56-50)38-25-11-4-12-26-38/h1-32H.
What are the key properties of 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole has a molecular weight of 726.83 g/mol, XLogP of 11.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoronaphthalen-1-yl)-2-[2-(2-fluoronaphthalen-1-yl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 19064212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).