7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene

C29H37Br — CID 101461425

IUPAC7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene
SMILESC=Cc1cc(C=C)c2c(c1)C(CCCCCC)(CCCCCC)c1cc(Br)ccc1-2
InChIInChI=1S/C29H37Br/c1-5-9-11-13-17-29(18-14-12-10-6-2)26-21-24(30)15-16-25(26)28-23(8-4)19-22(7-3)20-27(28)29/h7-8,15-16,19-21H,3-6,9-14,17-18H2,1-2H3
InChIKeyZQTHPWUAKCMHLO-UHFFFAOYSA-N
MW465.52 g/mol
LogP9.94
Rot. Bonds12

About 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene

7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene (PubChem CID 101461425) has the molecular formula C29H37Br and a molecular weight of 465.52 g/mol. Its IUPAC name is 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene.

Molecular Properties

Compound Name7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene
PubChem CID101461425
Molecular FormulaC29H37Br
Molecular Weight465.52 g/mol
Exact Mass464.21
IUPAC Name7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene
SMILESC=Cc1cc(C=C)c2c(c1)C(CCCCCC)(CCCCCC)c1cc(Br)ccc1-2
InChIInChI=1S/C29H37Br/c1-5-9-11-13-17-29(18-14-12-10-6-2)26-21-24(30)15-16-25(26)28-23(8-4)19-22(7-3)20-27(28)29/h7-8,15-16,19-21H,3-6,9-14,17-18H2,1-2H3
InChIKeyZQTHPWUAKCMHLO-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9,9-dihexylfluorene
CID 18674600
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
CID 59561089
CID 59561089
2-ethenyl-9,9-dihexylfluorene
CID 86189845
4-(7-bromo-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 169223631
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene?
The IUPAC name of 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene (CID 101461425) is 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene.
What is the SMILES notation for 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene?
The canonical SMILES for 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene is C=Cc1cc(C=C)c2c(c1)C(CCCCCC)(CCCCCC)c1cc(Br)ccc1-2.
What is the InChIKey of 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene?
The InChIKey is ZQTHPWUAKCMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37Br/c1-5-9-11-13-17-29(18-14-12-10-6-2)26-21-24(30)15-16-25(26)28-23(8-4)19-22(7-3)20-27(28)29/h7-8,15-16,19-21H,3-6,9-14,17-18H2,1-2H3.
What are the key properties of 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene?
7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene has a molecular weight of 465.52 g/mol, XLogP of 9.94, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-bis(ethenyl)-9,9-dihexylfluorene is sourced from PubChem (CID 101461425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).