3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]

C26H19Br — CID 123378700

IUPAC3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
SMILESCc1ccc2c(c1)-c1cc(Br)ccc1C21C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C26H19Br/c1-16-10-12-24-20(14-16)21-15-17(27)11-13-25(21)26(24)22-8-4-2-6-18(22)19-7-3-5-9-23(19)26/h2-4,6-8,10-15H,5,9H2,1H3
InChIKeyYFMKSDWUKIHVSM-UHFFFAOYSA-N
MW411.34 g/mol
LogP7.19
Rot. Bonds

About 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]

3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene] (PubChem CID 123378700) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene].

Molecular Properties

Compound Name3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
PubChem CID123378700
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
SMILESCc1ccc2c(c1)-c1cc(Br)ccc1C21C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C26H19Br/c1-16-10-12-24-20(14-16)21-15-17(27)11-13-25(21)26(24)22-8-4-2-6-18(22)19-7-3-5-9-23(19)26/h2-4,6-8,10-15H,5,9H2,1H3
InChIKeyYFMKSDWUKIHVSM-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-N-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-4-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylbenzene-1,4-diamine oxide
CID 163766448
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919
8'-bromospiro[1,2-dihydrofluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607286
3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
CID 163520915
2-(3-methylphenyl)-3-spiro[1,2-dihydrofluorene-9,10'-9H-anthracene]-2'-yl-1,2,3,4-tetrahydroquinoxaline
CID 145358334
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
ethane;(8Z)-2'-methylspiro[7,10-dihydrocycloocta[a]indene-11,10'-7H-benzo[a]azulene]
CID 144876245
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
4-N-(6-methylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]-2'-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 145464393

Frequently Asked Questions

What is the IUPAC name of 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]?
The IUPAC name of 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene] (CID 123378700) is 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene].
What is the SMILES notation for 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]?
The canonical SMILES for 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene] is Cc1ccc2c(c1)-c1cc(Br)ccc1C21C2=C(C=CCC2)c2ccccc21.
What is the InChIKey of 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]?
The InChIKey is YFMKSDWUKIHVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c1-16-10-12-24-20(14-16)21-15-17(27)11-13-25(21)26(24)22-8-4-2-6-18(22)19-7-3-5-9-23(19)26/h2-4,6-8,10-15H,5,9H2,1H3.
What are the key properties of 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]?
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene] has a molecular weight of 411.34 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene] is sourced from PubChem (CID 123378700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).