2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene

C29H24Br2O2 — CID 139257866

IUPAC2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene
SMILESCCOc1ccc(C2(c3ccc(OCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C29H24Br2O2/c1-3-32-23-11-5-19(6-12-23)29(20-7-13-24(14-8-20)33-4-2)27-17-21(30)9-15-25(27)26-16-10-22(31)18-28(26)29/h5-18H,3-4H2,1-2H3
InChIKeyMESCQKMWQONZBZ-UHFFFAOYSA-N
MW564.32 g/mol
LogP8.37
Rot. Bonds6

About 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene

2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene (PubChem CID 139257866) has the molecular formula C29H24Br2O2 and a molecular weight of 564.32 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene
PubChem CID139257866
Molecular FormulaC29H24Br2O2
Molecular Weight564.32 g/mol
Exact Mass562.01
IUPAC Name2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene
SMILESCCOc1ccc(C2(c3ccc(OCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C29H24Br2O2/c1-3-32-23-11-5-19(6-12-23)29(20-7-13-24(14-8-20)33-4-2)27-17-21(30)9-15-25(27)26-16-10-22(31)18-28(26)29/h5-18H,3-4H2,1-2H3
InChIKeyMESCQKMWQONZBZ-UHFFFAOYSA-N
XLogP8.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.32
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067209
2'-Bromospiro[fluorene-9,9'-xanthene]
CID 90153653
4-Bromospiro[fluorene-9,9'-xanthene]
CID 90153673
9,9-Bis[4-(2-bromotetrafluoroethoxy)phenyl]fluorene
CID 18956469
4-(Benzyloxy)-4'-bromo-1,1'-biphenyl
CID 22465773
5-Bromo-1-(fluoromethyl)-3-methyl-2-(4-phenylmethoxyphenyl)benzene
CID 177853273
2-Bromospiro[fluorene-9,9'-xanthene]
CID 11546047
6-Bromo-1-(6-bromo-2-ethoxynaphthalen-1-yl)-2-ethoxynaphthalene
CID 12118283
6,6'-Dibromo-2,2'-bis(hexyloxy)-1,1'-binaphthalene
CID 15265576
4,4'-(2,7-Dibromo-9H-fluorene-9,9-diyl)diphenol
CID 22020076
9,9-Bis{4-[(prop-2-yn-1-yl)oxy]phenyl}-9H-fluorene
CID 23528410
2,7-Dibromo-9,9-bis(4-sulfonylbutoxyphenyl)fluorene
CID 25270921

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene (CID 139257866) is 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene is CCOc1ccc(C2(c3ccc(OCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene?
The InChIKey is MESCQKMWQONZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Br2O2/c1-3-32-23-11-5-19(6-12-23)29(20-7-13-24(14-8-20)33-4-2)27-17-21(30)9-15-25(27)26-16-10-22(31)18-28(26)29/h5-18H,3-4H2,1-2H3.
What are the key properties of 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene?
2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene has a molecular weight of 564.32 g/mol, XLogP of 8.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis(4-ethoxyphenyl)fluorene is sourced from PubChem (CID 139257866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).