2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane

C27H36Br4 — CID 143104175

IUPAC2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
SMILESBrCCCCCCC1(CCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.CC
InChIInChI=1S/C25H30Br4.C2H6/c26-15-7-3-1-5-13-25(14-6-2-4-8-16-27)23-17-19(28)9-11-21(23)22-12-10-20(29)18-24(22)25;1-2/h9-12,17-18H,1-8,13-16H2;1-2H3
InChIKeyVUYIINFCXFAKHG-UHFFFAOYSA-N
MW680.20 g/mol
LogP11.20
Rot. Bonds12

About 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane

2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane (PubChem CID 143104175) has the molecular formula C27H36Br4 and a molecular weight of 680.20 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
PubChem CID143104175
Molecular FormulaC27H36Br4
Molecular Weight680.20 g/mol
Exact Mass675.96
IUPAC Name2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
SMILESBrCCCCCCC1(CCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.CC
InChIInChI=1S/C25H30Br4.C2H6/c26-15-7-3-1-5-13-25(14-6-2-4-8-16-27)23-17-19(28)9-11-21(23)22-12-10-20(29)18-24(22)25;1-2/h9-12,17-18H,1-8,13-16H2;1-2H3
InChIKeyVUYIINFCXFAKHG-UHFFFAOYSA-N
XLogP11.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.20
LogP ≤ 511.20
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(8-bromooctyl)fluorene
CID 58274129
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
CID 86231316
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
2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane
CID 161155514
2-bromo-9,9-dihexylfluorene
CID 18674600
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
CID 59561089
CID 59561089

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane?
The IUPAC name of 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane (CID 143104175) is 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane.
What is the SMILES notation for 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane?
The canonical SMILES for 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane is BrCCCCCCC1(CCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.CC.
What is the InChIKey of 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane?
The InChIKey is VUYIINFCXFAKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Br4.C2H6/c26-15-7-3-1-5-13-25(14-6-2-4-8-16-27)23-17-19(28)9-11-21(23)22-12-10-20(29)18-24(22)25;1-2/h9-12,17-18H,1-8,13-16H2;1-2H3.
What are the key properties of 2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane?
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane has a molecular weight of 680.20 g/mol, XLogP of 11.20, 12 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(6-bromohexyl)fluorene;ethane is sourced from PubChem (CID 143104175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).