4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine

C56H32F12N2O4S2 — CID 58692903

IUPAC4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3sc(-c4cccc(-c5sc(-c6cc(-c7ccc(C(F)(F)F)cc7)nc(-c7ccc(C(F)(F)F)cc7)c6)c6c5OCCO6)c4)c4c3OCCO4)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C56H32F12N2O4S2/c57-53(58,59)37-12-4-29(5-13-37)41-25-35(26-42(69-41)30-6-14-38(15-7-30)54(60,61)62)51-47-45(71-20-22-73-47)49(75-51)33-2-1-3-34(24-33)50-46-48(74-23-21-72-46)52(76-50)36-27-43(31-8-16-39(17-9-31)55(63,64)65)70-44(28-36)32-10-18-40(19-11-32)56(66,67)68/h1-19,24-28H,20-23H2
InChIKeyZLDQXTGRVRANSA-UHFFFAOYSA-N
MW1088.99 g/mol
LogP17.55
Rot. Bonds8

About 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine

4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 58692903) has the molecular formula C56H32F12N2O4S2 and a molecular weight of 1088.99 g/mol. Its IUPAC name is 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine
PubChem CID58692903
Molecular FormulaC56H32F12N2O4S2
Molecular Weight1088.99 g/mol
Exact Mass1088.16
IUPAC Name4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3sc(-c4cccc(-c5sc(-c6cc(-c7ccc(C(F)(F)F)cc7)nc(-c7ccc(C(F)(F)F)cc7)c6)c6c5OCCO6)c4)c4c3OCCO4)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C56H32F12N2O4S2/c57-53(58,59)37-12-4-29(5-13-37)41-25-35(26-42(69-41)30-6-14-38(15-7-30)54(60,61)62)51-47-45(71-20-22-73-47)49(75-51)33-2-1-3-34(24-33)50-46-48(74-23-21-72-46)52(76-50)36-27-43(31-8-16-39(17-9-31)55(63,64)65)70-44(28-36)32-10-18-40(19-11-32)56(66,67)68/h1-19,24-28H,20-23H2
InChIKeyZLDQXTGRVRANSA-UHFFFAOYSA-N
XLogP17.55
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.99
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine (CID 58692903) is 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(-c3sc(-c4cccc(-c5sc(-c6cc(-c7ccc(C(F)(F)F)cc7)nc(-c7ccc(C(F)(F)F)cc7)c6)c6c5OCCO6)c4)c4c3OCCO4)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is ZLDQXTGRVRANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32F12N2O4S2/c57-53(58,59)37-12-4-29(5-13-37)41-25-35(26-42(69-41)30-6-14-38(15-7-30)54(60,61)62)51-47-45(71-20-22-73-47)49(75-51)33-2-1-3-34(24-33)50-46-48(74-23-21-72-46)52(76-50)36-27-43(31-8-16-39(17-9-31)55(63,64)65)70-44(28-36)32-10-18-40(19-11-32)56(66,67)68/h1-19,24-28H,20-23H2.
What are the key properties of 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine?
4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1088.99 g/mol, XLogP of 17.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-[5-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,6-bis[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 58692903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).