2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan

C72H36F18O6 — CID 71615619

IUPAC2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1ccc(-c2ccc(-c3c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c3-c3ccc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1
InChIInChI=1S/C72H36F18O6/c73-67(74,75)43-13-1-37(2-14-43)49-25-31-55(91-49)61-62(56-32-26-50(92-56)38-3-15-44(16-4-38)68(76,77)78)64(58-34-28-52(94-58)40-7-19-46(20-8-40)70(82,83)84)66(60-36-30-54(96-60)42-11-23-48(24-12-42)72(88,89)90)65(59-35-29-53(95-59)41-9-21-47(22-10-41)71(85,86)87)63(61)57-33-27-51(93-57)39-5-17-45(18-6-39)69(79,80)81/h1-36H
InChIKeyKGOMJBVEJYCZQL-UHFFFAOYSA-N
MW1339.04 g/mol
LogP25.36
Rot. Bonds12

About 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan

2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan (PubChem CID 71615619) has the molecular formula C72H36F18O6 and a molecular weight of 1339.04 g/mol. Its IUPAC name is 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
PubChem CID71615619
Molecular FormulaC72H36F18O6
Molecular Weight1339.04 g/mol
Exact Mass1338.22
IUPAC Name2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1ccc(-c2ccc(-c3c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c3-c3ccc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1
InChIInChI=1S/C72H36F18O6/c73-67(74,75)43-13-1-37(2-14-43)49-25-31-55(91-49)61-62(56-32-26-50(92-56)38-3-15-44(16-4-38)68(76,77)78)64(58-34-28-52(94-58)40-7-19-46(20-8-40)70(82,83)84)66(60-36-30-54(96-60)42-11-23-48(24-12-42)72(88,89)90)65(59-35-29-53(95-59)41-9-21-47(22-10-41)71(85,86)87)63(61)57-33-27-51(93-57)39-5-17-45(18-6-39)69(79,80)81/h1-36H
InChIKeyKGOMJBVEJYCZQL-UHFFFAOYSA-N
XLogP25.36
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.04
LogP ≤ 525.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan with MolForge

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Related Compounds

2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
5-[4-(trifluoromethyl)phenyl]furan-2-carbothioamide
CID 94280906
4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 139258305
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 154324455
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate
CID 174586618
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398755
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
trimethyl-[4-[2,4,6-tris[4-(trifluoromethyl)phenyl]-3,5-bis(4-trimethylsilylphenyl)phenyl]phenyl]silane
CID 102366685
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan (CID 71615619) is 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan is FC(F)(F)c1ccc(-c2ccc(-c3c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c(-c4ccc(-c5ccc(C(F)(F)F)cc5)o4)c3-c3ccc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1.
What is the InChIKey of 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan?
The InChIKey is KGOMJBVEJYCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H36F18O6/c73-67(74,75)43-13-1-37(2-14-43)49-25-31-55(91-49)61-62(56-32-26-50(92-56)38-3-15-44(16-4-38)68(76,77)78)64(58-34-28-52(94-58)40-7-19-46(20-8-40)70(82,83)84)66(60-36-30-54(96-60)42-11-23-48(24-12-42)72(88,89)90)65(59-35-29-53(95-59)41-9-21-47(22-10-41)71(85,86)87)63(61)57-33-27-51(93-57)39-5-17-45(18-6-39)69(79,80)81/h1-36H.
What are the key properties of 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan?
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan has a molecular weight of 1339.04 g/mol, XLogP of 25.36, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 71615619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).