1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]

C28H20 — CID 145110832

IUPAC1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]
SMILESC/C=C/c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C28H20/c1-2-10-19-11-9-15-23-22-14-5-8-18-26(22)28(27(19)23)24-16-6-3-12-20(24)21-13-4-7-17-25(21)28/h2-18H,1H3/b10-2+
InChIKeyMFYFBNWXNAOLRO-WTDSWWLTSA-N
MW356.47 g/mol
LogP7.06
Rot. Bonds1

About 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]

1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene] (PubChem CID 145110832) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]
PubChem CID145110832
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Name1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]
SMILESC/C=C/c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C28H20/c1-2-10-19-11-9-15-23-22-14-5-8-18-26(22)28(27(19)23)24-16-6-3-12-20(24)21-13-4-7-17-25(21)28/h2-18H,1H3/b10-2+
InChIKeyMFYFBNWXNAOLRO-WTDSWWLTSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
1-phenyl-2-[(Z)-prop-1-enyl]benzene
CID 143027726
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
CID 142314021
N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
CID 159657199
2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
CID 175695461
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
2-(2-hydroxyphenyl)-3-prop-1-enylphenol
CID 175962798
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
3-[3-[3-(3'-methyl-2'-prop-1-enylspiro[fluorene-9,1'-indene]-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 123374086
1-(2-ethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]benzene
CID 173216176

Frequently Asked Questions

What is the IUPAC name of 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene] (CID 145110832) is 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene] is C/C=C/c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]?
The InChIKey is MFYFBNWXNAOLRO-WTDSWWLTSA-N. The full InChI is InChI=1S/C28H20/c1-2-10-19-11-9-15-23-22-14-5-8-18-26(22)28(27(19)23)24-16-6-3-12-20(24)21-13-4-7-17-25(21)28/h2-18H,1H3/b10-2+.
What are the key properties of 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]?
1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene] has a molecular weight of 356.47 g/mol, XLogP of 7.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 145110832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).