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

C25H19Br — CID 170136169

IUPAC3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
SMILESC/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1-c1cc(Br)ccc12
InChIInChI=1S/C25H19Br/c1-3-8-18-16(2)25(22-11-6-4-9-19(18)22)23-12-7-5-10-20(23)21-15-17(26)13-14-24(21)25/h3-15H,1-2H3/b8-3-
InChIKeyZSKPYECZXXVJHO-BAQGIRSFSA-N
MW399.33 g/mol
LogP7.13
Rot. Bonds1

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

3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] (PubChem CID 170136169) has the molecular formula C25H19Br and a molecular weight of 399.33 g/mol. Its IUPAC name is 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene].

Molecular Properties

Compound Name3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
PubChem CID170136169
Molecular FormulaC25H19Br
Molecular Weight399.33 g/mol
Exact Mass398.07
IUPAC Name3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
SMILESC/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1-c1cc(Br)ccc12
InChIInChI=1S/C25H19Br/c1-3-8-18-16(2)25(22-11-6-4-9-19(18)22)23-12-7-5-10-20(23)21-15-17(26)13-14-24(21)25/h3-15H,1-2H3/b8-3-
InChIKeyZSKPYECZXXVJHO-BAQGIRSFSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.33
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine
CID 163887285
6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]
CID 123721476
CID 146495217
CID 146495217
6-bromo-1-[4-(4-ethenylphenoxy)phenyl]-2-methyl-1-phenyl-3-[(Z)-prop-1-enyl]indene
CID 154999840
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
CID 123379297
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
3'-[(1Z)-buta-1,3-dienyl]-2-iodo-2'-methylspiro[fluorene-9,1'-indene]
CID 89150368
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenoxy]ethanol
CID 170219220
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
The IUPAC name of 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] (CID 170136169) is 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene].
What is the SMILES notation for 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
The canonical SMILES for 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] is C/C=C\C1=C(C)C2(c3ccccc31)c1ccccc1-c1cc(Br)ccc12.
What is the InChIKey of 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
The InChIKey is ZSKPYECZXXVJHO-BAQGIRSFSA-N. The full InChI is InChI=1S/C25H19Br/c1-3-8-18-16(2)25(22-11-6-4-9-19(18)22)23-12-7-5-10-20(23)21-15-17(26)13-14-24(21)25/h3-15H,1-2H3/b8-3-.
What are the key properties of 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]?
3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] has a molecular weight of 399.33 g/mol, XLogP of 7.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene] is sourced from PubChem (CID 170136169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).