(1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene

C32H16F12 — CID 122231455

IUPAC(1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene
SMILESFC(F)(F)c1ccc(/C=C2/C(c3ccc(C(F)(F)F)cc3)=C(c3ccc(C(F)(F)F)cc3)c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C32H16F12/c33-29(34,35)20-7-1-17(2-8-20)15-25-24-14-13-23(32(42,43)44)16-26(24)28(19-5-11-22(12-6-19)31(39,40)41)27(25)18-3-9-21(10-4-18)30(36,37)38/h1-16H/b25-15+
InChIKeyYQTCBSQBOGWVFA-MFKUBSTISA-N
MW628.46 g/mol
LogP11.28
Rot. Bonds3

About (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene

(1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene (PubChem CID 122231455) has the molecular formula C32H16F12 and a molecular weight of 628.46 g/mol. Its IUPAC name is (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene.

Molecular Properties

Compound Name(1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene
PubChem CID122231455
Molecular FormulaC32H16F12
Molecular Weight628.46 g/mol
Exact Mass628.11
IUPAC Name(1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene
SMILESFC(F)(F)c1ccc(/C=C2/C(c3ccc(C(F)(F)F)cc3)=C(c3ccc(C(F)(F)F)cc3)c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C32H16F12/c33-29(34,35)20-7-1-17(2-8-20)15-25-24-14-13-23(32(42,43)44)16-26(24)28(19-5-11-22(12-6-19)31(39,40)41)27(25)18-3-9-21(10-4-18)30(36,37)38/h1-16H/b25-15+
InChIKeyYQTCBSQBOGWVFA-MFKUBSTISA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.46
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(9E)-2-nitro-9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene
CID 102122057
4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
CID 83810230
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-(difluoromethyl)-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 134629075
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 54912239
(3E)-6,7-dichloro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 45029460
3-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755549
2-ethenyl-5-(trifluoromethyl)isoindole-1,3-dione
CID 59816339
N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
CID 2768382
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126107167

Frequently Asked Questions

What is the IUPAC name of (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene?
The IUPAC name of (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene (CID 122231455) is (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene.
What is the SMILES notation for (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene?
The canonical SMILES for (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene is FC(F)(F)c1ccc(/C=C2/C(c3ccc(C(F)(F)F)cc3)=C(c3ccc(C(F)(F)F)cc3)c3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene?
The InChIKey is YQTCBSQBOGWVFA-MFKUBSTISA-N. The full InChI is InChI=1S/C32H16F12/c33-29(34,35)20-7-1-17(2-8-20)15-25-24-14-13-23(32(42,43)44)16-26(24)28(19-5-11-22(12-6-19)31(39,40)41)27(25)18-3-9-21(10-4-18)30(36,37)38/h1-16H/b25-15+.
What are the key properties of (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene?
(1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene has a molecular weight of 628.46 g/mol, XLogP of 11.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene is sourced from PubChem (CID 122231455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).