4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline

C69H39F18N7 — CID 58085477

IUPAC4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline
SMILESFC(F)(F)c1cc(-c2cnc(-c3ccccc3)n2-c2ccc(N(c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C69H39F18N7/c70-64(71,72)46-28-43(29-47(34-46)65(73,74)75)58-37-88-61(40-10-4-1-5-11-40)92(58)55-22-16-52(17-23-55)91(53-18-24-56(25-19-53)93-59(38-89-62(93)41-12-6-2-7-13-41)44-30-48(66(76,77)78)35-49(31-44)67(79,80)81)54-20-26-57(27-21-54)94-60(39-90-63(94)42-14-8-3-9-15-42)45-32-50(68(82,83)84)36-51(33-45)69(85,86)87/h1-39H
InChIKeyPOBRXXJLUFFKKL-UHFFFAOYSA-N
MW1308.08 g/mol
LogP21.83
Rot. Bonds12

About 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline

4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline (PubChem CID 58085477) has the molecular formula C69H39F18N7 and a molecular weight of 1308.08 g/mol. Its IUPAC name is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline
PubChem CID58085477
Molecular FormulaC69H39F18N7
Molecular Weight1308.08 g/mol
Exact Mass1307.30
IUPAC Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline
SMILESFC(F)(F)c1cc(-c2cnc(-c3ccccc3)n2-c2ccc(N(c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C69H39F18N7/c70-64(71,72)46-28-43(29-47(34-46)65(73,74)75)58-37-88-61(40-10-4-1-5-11-40)92(58)55-22-16-52(17-23-55)91(53-18-24-56(25-19-53)93-59(38-89-62(93)41-12-6-2-7-13-41)44-30-48(66(76,77)78)35-49(31-44)67(79,80)81)54-20-26-57(27-21-54)94-60(39-90-63(94)42-14-8-3-9-15-42)45-32-50(68(82,83)84)36-51(33-45)69(85,86)87/h1-39H
InChIKeyPOBRXXJLUFFKKL-UHFFFAOYSA-N
XLogP21.83
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001308.08
LogP ≤ 521.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline?
The IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline (CID 58085477) is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline.
What is the SMILES notation for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline?
The canonical SMILES for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline is FC(F)(F)c1cc(-c2cnc(-c3ccccc3)n2-c2ccc(N(c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)c3ccc(-n4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cnc4-c4ccccc4)cc3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline?
The InChIKey is POBRXXJLUFFKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H39F18N7/c70-64(71,72)46-28-43(29-47(34-46)65(73,74)75)58-37-88-61(40-10-4-1-5-11-40)92(58)55-22-16-52(17-23-55)91(53-18-24-56(25-19-53)93-59(38-89-62(93)41-12-6-2-7-13-41)44-30-48(66(76,77)78)35-49(31-44)67(79,80)81)54-20-26-57(27-21-54)94-60(39-90-63(94)42-14-8-3-9-15-42)45-32-50(68(82,83)84)36-51(33-45)69(85,86)87/h1-39H.
What are the key properties of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline?
4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline has a molecular weight of 1308.08 g/mol, XLogP of 21.83, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline is sourced from PubChem (CID 58085477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).