3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]

C27H22 — CID 144911605

IUPAC3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(C)cc12
InChIInChI=1S/C27H22/c1-4-10-23-19(5-2)20-11-6-8-13-24(20)27(23)25-14-9-7-12-21(25)22-16-15-18(3)17-26(22)27/h4-17H,2H2,1,3H3/b10-4-
InChIKeyHMXLMANRKHEXCQ-WMZJFQQLSA-N
MW346.47 g/mol
LogP6.84
Rot. Bonds2

About 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]

3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] (PubChem CID 144911605) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene].

Molecular Properties

Compound Name3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
PubChem CID144911605
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(C)cc12
InChIInChI=1S/C27H22/c1-4-10-23-19(5-2)20-11-6-8-13-24(20)27(23)25-14-9-7-12-21(25)22-16-15-18(3)17-26(22)27/h4-17H,2H2,1,3H3/b10-4-
InChIKeyHMXLMANRKHEXCQ-WMZJFQQLSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187
(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]
CID 144569336
1,2'-bis[(1Z)-buta-1,3-dienyl]-2,3'-bis(ethenyl)-3-methyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
CID 174069889
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
3'-ethenyl-5-methyl-2'-[(Z)-prop-1-enyl]spiro[hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-25,1'-indene]
CID 145353205
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
CID 144810497
CID 58607554
CID 58607554
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015

Frequently Asked Questions

What is the IUPAC name of 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
The IUPAC name of 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] (CID 144911605) is 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene].
What is the SMILES notation for 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
The canonical SMILES for 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] is C=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(C)cc12.
What is the InChIKey of 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
The InChIKey is HMXLMANRKHEXCQ-WMZJFQQLSA-N. The full InChI is InChI=1S/C27H22/c1-4-10-23-19(5-2)20-11-6-8-13-24(20)27(23)25-14-9-7-12-21(25)22-16-15-18(3)17-26(22)27/h4-17H,2H2,1,3H3/b10-4-.
What are the key properties of 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] has a molecular weight of 346.47 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] is sourced from PubChem (CID 144911605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).