6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]

C23H19Br — CID 123721476

IUPAC6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]
SMILESC=CC1=C(C)C2(C(C)=C(C=C)c3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C23H19Br/c1-5-17-14(3)23(21-10-8-7-9-19(17)21)15(4)18(6-2)20-12-11-16(24)13-22(20)23/h5-13H,1-2H2,3-4H3
InChIKeyYYYFGNWTGZDBHB-UHFFFAOYSA-N
MW375.31 g/mol
LogP6.68
Rot. Bonds2

About 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]

6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene] (PubChem CID 123721476) has the molecular formula C23H19Br and a molecular weight of 375.31 g/mol. Its IUPAC name is 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene].

Molecular Properties

Compound Name6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]
PubChem CID123721476
Molecular FormulaC23H19Br
Molecular Weight375.31 g/mol
Exact Mass374.07
IUPAC Name6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]
SMILESC=CC1=C(C)C2(C(C)=C(C=C)c3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C23H19Br/c1-5-17-14(3)23(21-10-8-7-9-19(17)21)15(4)18(6-2)20-12-11-16(24)13-22(20)23/h5-13H,1-2H2,3-4H3
InChIKeyYYYFGNWTGZDBHB-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
3-bromo-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 170136169
N-buta-1,3-dien-2-yl-N-[1-(3-ethenyl-2,2'-dimethyl-1,3'-spirobi[indene]-1'-yl)ethenyl]-9,9'-spirobi[fluorene]-2-amine
CID 123342848
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
6-bromo-1-[4-(4-ethenylphenoxy)phenyl]-2-methyl-1-phenyl-3-[(Z)-prop-1-enyl]indene
CID 154999840
3'-[(1Z)-buta-1,3-dienyl]-2-iodo-2'-methylspiro[fluorene-9,1'-indene]
CID 89150368
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]?
The IUPAC name of 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene] (CID 123721476) is 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene].
What is the SMILES notation for 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]?
The canonical SMILES for 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene] is C=CC1=C(C)C2(C(C)=C(C=C)c3ccc(Br)cc32)c2ccccc21.
What is the InChIKey of 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]?
The InChIKey is YYYFGNWTGZDBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br/c1-5-17-14(3)23(21-10-8-7-9-19(17)21)15(4)18(6-2)20-12-11-16(24)13-22(20)23/h5-13H,1-2H2,3-4H3.
What are the key properties of 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene]?
6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene] has a molecular weight of 375.31 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3'-bis(ethenyl)-2,2'-dimethyl-1,1'-spirobi[indene] is sourced from PubChem (CID 123721476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).