2-bromo-9-oct-7-enyl-9-phenylfluorene

C27H27Br — CID 146352337

IUPAC2-bromo-9-oct-7-enyl-9-phenylfluorene
SMILESC=CCCCCCCC1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H27Br/c1-2-3-4-5-6-12-19-27(21-13-8-7-9-14-21)25-16-11-10-15-23(25)24-18-17-22(28)20-26(24)27/h2,7-11,13-18,20H,1,3-6,12,19H2
InChIKeyYMHDUVVEXAZREO-UHFFFAOYSA-N
MW431.42 g/mol
LogP8.29
Rot. Bonds8

About 2-bromo-9-oct-7-enyl-9-phenylfluorene

2-bromo-9-oct-7-enyl-9-phenylfluorene (PubChem CID 146352337) has the molecular formula C27H27Br and a molecular weight of 431.42 g/mol. Its IUPAC name is 2-bromo-9-oct-7-enyl-9-phenylfluorene.

Molecular Properties

Compound Name2-bromo-9-oct-7-enyl-9-phenylfluorene
PubChem CID146352337
Molecular FormulaC27H27Br
Molecular Weight431.42 g/mol
Exact Mass430.13
IUPAC Name2-bromo-9-oct-7-enyl-9-phenylfluorene
SMILESC=CCCCCCCC1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H27Br/c1-2-3-4-5-6-12-19-27(21-13-8-7-9-14-21)25-16-11-10-15-23(25)24-18-17-22(28)20-26(24)27/h2,7-11,13-18,20H,1,3-6,12,19H2
InChIKeyYMHDUVVEXAZREO-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.42
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine
CID 140895778
2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene
CID 140798131
2-bromo-9,9-dihexylfluorene
CID 18674600
2,7-dichloro-9-hexyl-9-phenylfluorene
CID 59711127
2-bromo-9-hexyl-9-methylfluorene
CID 141395535
2-[2,5-bis[6-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)fluoren-9-yl]hexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159124269
acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene
CID 167484434
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene
CID 155614174
2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene
CID 158112944
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-oct-7-enyl-9-phenylfluorene?
The IUPAC name of 2-bromo-9-oct-7-enyl-9-phenylfluorene (CID 146352337) is 2-bromo-9-oct-7-enyl-9-phenylfluorene.
What is the SMILES notation for 2-bromo-9-oct-7-enyl-9-phenylfluorene?
The canonical SMILES for 2-bromo-9-oct-7-enyl-9-phenylfluorene is C=CCCCCCCC1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-oct-7-enyl-9-phenylfluorene?
The InChIKey is YMHDUVVEXAZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Br/c1-2-3-4-5-6-12-19-27(21-13-8-7-9-14-21)25-16-11-10-15-23(25)24-18-17-22(28)20-26(24)27/h2,7-11,13-18,20H,1,3-6,12,19H2.
What are the key properties of 2-bromo-9-oct-7-enyl-9-phenylfluorene?
2-bromo-9-oct-7-enyl-9-phenylfluorene has a molecular weight of 431.42 g/mol, XLogP of 8.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-oct-7-enyl-9-phenylfluorene is sourced from PubChem (CID 146352337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).