2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]

C34H30 — CID 59217211

IUPAC2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]
SMILESC(=C/c1ccc2c(c1)C1(CCCCC1)c1cc(/C=C/c3ccccc3)ccc1-2)\c1ccccc1
InChIInChI=1S/C34H30/c1-4-10-26(11-5-1)14-16-28-18-20-30-31-21-19-29(17-15-27-12-6-2-7-13-27)25-33(31)34(32(30)24-28)22-8-3-9-23-34/h1-2,4-7,10-21,24-25H,3,8-9,22-23H2/b16-14+,17-15+
InChIKeyGKAABGRRIGGFOT-YXLFCKQPSA-N
MW438.61 g/mol
LogP9.26
Rot. Bonds4

About 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]

2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene] (PubChem CID 59217211) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]
PubChem CID59217211
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]
SMILESC(=C/c1ccc2c(c1)C1(CCCCC1)c1cc(/C=C/c3ccccc3)ccc1-2)\c1ccccc1
InChIInChI=1S/C34H30/c1-4-10-26(11-5-1)14-16-28-18-20-30-31-21-19-29(17-15-27-12-6-2-7-13-27)25-33(31)34(32(30)24-28)22-8-3-9-23-34/h1-2,4-7,10-21,24-25H,3,8-9,22-23H2/b16-14+,17-15+
InChIKeyGKAABGRRIGGFOT-YXLFCKQPSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 59.26
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

1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 89071564
5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984195
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022
1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 91214986
9-(3,5-dimethylphenyl)-3-[4-[(E)-2-[7'-[(E)-2-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]carbazole
CID 59236609
ethane;5-methyl-10-[7'-[(E)-2-[4-[4-(10-phenylphenazin-5-yl)naphthalen-1-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984217
7'-[(E)-2-[6-(9,10-diphenylphenanthren-3-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 89075150
10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine
CID 91608306
2'-fluorospiro[cyclohexane-1,9'-fluorene]
CID 18740734
N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672316
9-naphthalen-1-yl-3-[(E)-2-[7'-[7'-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]carbazole
CID 59236473

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene] (CID 59217211) is 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene] is C(=C/c1ccc2c(c1)C1(CCCCC1)c1cc(/C=C/c3ccccc3)ccc1-2)\c1ccccc1.
What is the InChIKey of 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]?
The InChIKey is GKAABGRRIGGFOT-YXLFCKQPSA-N. The full InChI is InChI=1S/C34H30/c1-4-10-26(11-5-1)14-16-28-18-20-30-31-21-19-29(17-15-27-12-6-2-7-13-27)25-33(31)34(32(30)24-28)22-8-3-9-23-34/h1-2,4-7,10-21,24-25H,3,8-9,22-23H2/b16-14+,17-15+.
What are the key properties of 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]?
2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene] has a molecular weight of 438.61 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 59217211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).