(2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane

C94H66F12 — CID 139191345

IUPAC(2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane
SMILESCCCCCC.FC(F)(F)c1ccc(/C=C2/C(=C3c4ccccc4-c4ccccc43)[C@@H](c3ccc(C(F)(F)F)cc3)C23c2ccccc2-c2ccccc23)cc1.FC(F)(F)c1ccc(/C=C2/C(=C3c4ccccc4-c4ccccc43)[C@H](c3ccc(C(F)(F)F)cc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/2C44H26F6.C6H14/c2*45-43(46,47)28-21-17-26(18-22-28)25-38-40(39-34-13-3-1-9-30(34)31-10-2-4-14-35(31)39)41(27-19-23-29(24-20-27)44(48,49)50)42(38)36-15-7-5-11-32(36)33-12-6-8-16-37(33)42;1-3-5-6-4-2/h2*1-25,41H;3-6H2,1-2H3/b2*38-25-;/t2*41-;/m10./s1
InChIKeyMOTPDBKAQNOUSL-GCCDQMHZSA-N
MW1423.54 g/mol
LogP27.30
Rot. Bonds7

About (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane

(2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane (PubChem CID 139191345) has the molecular formula C94H66F12 and a molecular weight of 1423.54 g/mol. Its IUPAC name is (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane.

Molecular Properties

Compound Name(2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane
PubChem CID139191345
Molecular FormulaC94H66F12
Molecular Weight1423.54 g/mol
Exact Mass1422.50
IUPAC Name(2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane
SMILESCCCCCC.FC(F)(F)c1ccc(/C=C2/C(=C3c4ccccc4-c4ccccc43)[C@@H](c3ccc(C(F)(F)F)cc3)C23c2ccccc2-c2ccccc23)cc1.FC(F)(F)c1ccc(/C=C2/C(=C3c4ccccc4-c4ccccc43)[C@H](c3ccc(C(F)(F)F)cc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/2C44H26F6.C6H14/c2*45-43(46,47)28-21-17-26(18-22-28)25-38-40(39-34-13-3-1-9-30(34)31-10-2-4-14-35(31)39)41(27-19-23-29(24-20-27)44(48,49)50)42(38)36-15-7-5-11-32(36)33-12-6-8-16-37(33)42;1-3-5-6-4-2/h2*1-25,41H;3-6H2,1-2H3/b2*38-25-;/t2*41-;/m10./s1
InChIKeyMOTPDBKAQNOUSL-GCCDQMHZSA-N
XLogP27.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.54
LogP ≤ 527.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane?
The IUPAC name of (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane (CID 139191345) is (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane.
What is the SMILES notation for (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane?
The canonical SMILES for (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane is CCCCCC.FC(F)(F)c1ccc(/C=C2/C(=C3c4ccccc4-c4ccccc43)[C@@H](c3ccc(C(F)(F)F)cc3)C23c2ccccc2-c2ccccc23)cc1.FC(F)(F)c1ccc(/C=C2/C(=C3c4ccccc4-c4ccccc43)[C@H](c3ccc(C(F)(F)F)cc3)C23c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane?
The InChIKey is MOTPDBKAQNOUSL-GCCDQMHZSA-N. The full InChI is InChI=1S/2C44H26F6.C6H14/c2*45-43(46,47)28-21-17-26(18-22-28)25-38-40(39-34-13-3-1-9-30(34)31-10-2-4-14-35(31)39)41(27-19-23-29(24-20-27)44(48,49)50)42(38)36-15-7-5-11-32(36)33-12-6-8-16-37(33)42;1-3-5-6-4-2/h2*1-25,41H;3-6H2,1-2H3/b2*38-25-;/t2*41-;/m10./s1.
What are the key properties of (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane?
(2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane has a molecular weight of 1423.54 g/mol, XLogP of 27.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];(2R,4Z)-3-fluoren-9-ylidene-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]spiro[cyclobutane-1,9'-fluorene];hexane is sourced from PubChem (CID 139191345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).