4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine

C63H27F18N3O3 — CID 142336440

IUPAC4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)c5)ccnc4c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C63H27F18N3O3/c64-58(65,66)37-16-31(17-38(25-37)59(67,68)69)28-1-4-49-46(22-28)52-55(85-49)43(7-10-82-52)34-13-35(44-8-11-83-53-47-23-29(2-5-50(47)86-56(44)53)32-18-39(60(70,71)72)26-40(19-32)61(73,74)75)15-36(14-34)45-9-12-84-54-48-24-30(3-6-51(48)87-57(45)54)33-20-41(62(76,77)78)27-42(21-33)63(79,80)81/h1-27H
InChIKeyJNXLAOGXYNYESK-UHFFFAOYSA-N
MW1215.89 g/mol
LogP21.68
Rot. Bonds6

About 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine

4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336440) has the molecular formula C63H27F18N3O3 and a molecular weight of 1215.89 g/mol. Its IUPAC name is 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336440
Molecular FormulaC63H27F18N3O3
Molecular Weight1215.89 g/mol
Exact Mass1215.18
IUPAC Name4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)c5)ccnc4c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C63H27F18N3O3/c64-58(65,66)37-16-31(17-38(25-37)59(67,68)69)28-1-4-49-46(22-28)52-55(85-49)43(7-10-82-52)34-13-35(44-8-11-83-53-47-23-29(2-5-50(47)86-56(44)53)32-18-39(60(70,71)72)26-40(19-32)61(73,74)75)15-36(14-34)45-9-12-84-54-48-24-30(3-6-51(48)87-57(45)54)33-20-41(62(76,77)78)27-42(21-33)63(79,80)81/h1-27H
InChIKeyJNXLAOGXYNYESK-UHFFFAOYSA-N
XLogP21.68
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.89
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
5-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)furo[3,2-b]pyridine
CID 44447717
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
4-Phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 118719759
2-Phenyl-7-(trifluoromethyl)furo[3,2-b]pyridine
CID 138983641
Benzofuro[3,2-b]pyridine
CID 11355707
6-[4-(4-Fluorophenyl)benzofuro[3,2-b]pyridin-2-yl]-4-methyl-3-phenyl-chromen-2-one
CID 129903157
2,7-Bis(3,5-difluorophenyl)furo[3,2-b]pyridine
CID 56848816
3-(Trifluoromethyl)-[1]benzofuro[3,2-b]pyridine-8-carbonitrile
CID 57621329
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958484

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336440) is 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine is FC(F)(F)c1cc(-c2ccc3oc4c(-c5cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)cc(-c6ccnc7c6oc6ccc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)cc67)c5)ccnc4c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is JNXLAOGXYNYESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H27F18N3O3/c64-58(65,66)37-16-31(17-38(25-37)59(67,68)69)28-1-4-49-46(22-28)52-55(85-49)43(7-10-82-52)34-13-35(44-8-11-83-53-47-23-29(2-5-50(47)86-56(44)53)32-18-39(60(70,71)72)26-40(19-32)61(73,74)75)15-36(14-34)45-9-12-84-54-48-24-30(3-6-51(48)87-57(45)54)33-20-41(62(76,77)78)27-42(21-33)63(79,80)81/h1-27H.
What are the key properties of 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine?
4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1215.89 g/mol, XLogP of 21.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).