3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]

C27H24 — CID 145204058

IUPAC3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
SMILESC=CC1=C(/C=C\C)C2(C(/C=C\C)=C(C=C)c3ccccc32)c2ccccc21
InChIInChI=1S/C27H24/c1-5-13-23-19(7-3)21-15-9-11-17-25(21)27(23)24(14-6-2)20(8-4)22-16-10-12-18-26(22)27/h5-18H,3-4H2,1-2H3/b13-5-,14-6-
InChIKeyLVHUKYRRLMAIOJ-GFIWHYBVSA-N
MW348.49 g/mol
LogP7.03
Rot. Bonds4

About 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]

3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene] (PubChem CID 145204058) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene].

Molecular Properties

Compound Name3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
PubChem CID145204058
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
SMILESC=CC1=C(/C=C\C)C2(C(/C=C\C)=C(C=C)c3ccccc32)c2ccccc21
InChIInChI=1S/C27H24/c1-5-13-23-19(7-3)21-15-9-11-17-25(21)27(23)24(14-6-2)20(8-4)22-16-10-12-18-26(22)27/h5-18H,3-4H2,1-2H3/b13-5-,14-6-
InChIKeyLVHUKYRRLMAIOJ-GFIWHYBVSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]?
The IUPAC name of 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene] (CID 145204058) is 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene].
What is the SMILES notation for 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]?
The canonical SMILES for 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene] is C=CC1=C(/C=C\C)C2(C(/C=C\C)=C(C=C)c3ccccc32)c2ccccc21.
What is the InChIKey of 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]?
The InChIKey is LVHUKYRRLMAIOJ-GFIWHYBVSA-N. The full InChI is InChI=1S/C27H24/c1-5-13-23-19(7-3)21-15-9-11-17-25(21)27(23)24(14-6-2)20(8-4)22-16-10-12-18-26(22)27/h5-18H,3-4H2,1-2H3/b13-5-,14-6-.
What are the key properties of 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]?
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene] has a molecular weight of 348.49 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene] is sourced from PubChem (CID 145204058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).