2,7-dibromo-9,9-bis(8-bromooctyl)fluorene

C29H38Br4 — CID 58274129

IUPAC2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
SMILESBrCCCCCCCCC1(CCCCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C29H38Br4/c30-19-11-7-3-1-5-9-17-29(18-10-6-2-4-8-12-20-31)27-21-23(32)13-15-25(27)26-16-14-24(33)22-28(26)29/h13-16,21-22H,1-12,17-20H2
InChIKeyOUMBGBGGSPNNLB-UHFFFAOYSA-N
MW706.24 g/mol
LogP11.73
Rot. Bonds16

About 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene

2,7-dibromo-9,9-bis(8-bromooctyl)fluorene (PubChem CID 58274129) has the molecular formula C29H38Br4 and a molecular weight of 706.24 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
PubChem CID58274129
Molecular FormulaC29H38Br4
Molecular Weight706.24 g/mol
Exact Mass701.97
IUPAC Name2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
SMILESBrCCCCCCCCC1(CCCCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C29H38Br4/c30-19-11-7-3-1-5-9-17-29(18-10-6-2-4-8-12-20-31)27-21-23(32)13-15-25(27)26-16-14-24(33)22-28(26)29/h13-16,21-22H,1-12,17-20H2
InChIKeyOUMBGBGGSPNNLB-UHFFFAOYSA-N
XLogP11.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.24
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
CID 86231316
2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane
CID 161155514
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
2-bromo-9,9-dihexylfluorene
CID 18674600
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
6-[2,7-dibromo-9-(6-phosphonohexyl)fluoren-9-yl]hexylphosphonic acid
CID 141174107
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene (CID 58274129) is 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene is BrCCCCCCCCC1(CCCCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene?
The InChIKey is OUMBGBGGSPNNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38Br4/c30-19-11-7-3-1-5-9-17-29(18-10-6-2-4-8-12-20-31)27-21-23(32)13-15-25(27)26-16-14-24(33)22-28(26)29/h13-16,21-22H,1-12,17-20H2.
What are the key properties of 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene?
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene has a molecular weight of 706.24 g/mol, XLogP of 11.73, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis(8-bromooctyl)fluorene is sourced from PubChem (CID 58274129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).