2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C31H19F3 — CID 51033295

IUPAC2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESFC(F)(F)c1ccc(C2=CC(=C3c4ccccc4C=Cc4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C31H19F3/c32-31(33,34)23-17-15-22(16-18-23)28-19-29(27-12-6-5-11-26(27)28)30-24-9-3-1-7-20(24)13-14-21-8-2-4-10-25(21)30/h1-19H
InChIKeyNPMTUNLCXXGJJK-UHFFFAOYSA-N
MW448.49 g/mol
LogP8.59
Rot. Bonds1

About 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 51033295) has the molecular formula C31H19F3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID51033295
Molecular FormulaC31H19F3
Molecular Weight448.49 g/mol
Exact Mass448.14
IUPAC Name2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESFC(F)(F)c1ccc(C2=CC(=C3c4ccccc4C=Cc4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C31H19F3/c32-31(33,34)23-17-15-22(16-18-23)28-19-29(27-12-6-5-11-26(27)28)30-24-9-3-1-7-20(24)13-14-21-8-2-4-10-25(21)30/h1-19H
InChIKeyNPMTUNLCXXGJJK-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 58.59
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

2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
3-[4-(trifluoromethyl)phenyl]-1H-indene
CID 90234386
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 139802276
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
3-[4-(trifluoromethyl)phenyl]fluoren-1-one
CID 140563996
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854372
3-[4-(trifluoromethyl)phenyl]isoindol-1-one
CID 155385074
[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate
CID 87834390
[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 151698455
9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene
CID 162621152
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
(5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile
CID 155144336

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 51033295) is 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is FC(F)(F)c1ccc(C2=CC(=C3c4ccccc4C=Cc4ccccc43)c3ccccc32)cc1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is NPMTUNLCXXGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F3/c32-31(33,34)23-17-15-22(16-18-23)28-19-29(27-12-6-5-11-26(27)28)30-24-9-3-1-7-20(24)13-14-21-8-2-4-10-25(21)30/h1-19H.
What are the key properties of 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 448.49 g/mol, XLogP of 8.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 51033295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).