2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene

C19H16Br2O — CID 86731869

IUPAC2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene
SMILESC=CCOC1(CC=C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H16Br2O/c1-3-9-19(22-10-4-2)17-11-13(20)5-7-15(17)16-8-6-14(21)12-18(16)19/h3-8,11-12H,1-2,9-10H2
InChIKeyIISHHWJHUPVUTB-UHFFFAOYSA-N
MW420.14 g/mol
LogP6.21
Rot. Bonds5

About 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene

2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene (PubChem CID 86731869) has the molecular formula C19H16Br2O and a molecular weight of 420.14 g/mol. Its IUPAC name is 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene.

Molecular Properties

Compound Name2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene
PubChem CID86731869
Molecular FormulaC19H16Br2O
Molecular Weight420.14 g/mol
Exact Mass417.96
IUPAC Name2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene
SMILESC=CCOC1(CC=C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H16Br2O/c1-3-9-19(22-10-4-2)17-11-13(20)5-7-15(17)16-8-6-14(21)12-18(16)19/h3-8,11-12H,1-2,9-10H2
InChIKeyIISHHWJHUPVUTB-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.14
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 47002601
CID 47002601
CID 57803842
CID 57803842
CID 68488208
CID 68488208
CID 4557896
CID 4557896
CID 22117546
CID 22117546
CID 22316165
CID 22316165
CID 118092969
CID 118092969
CID 118092970
CID 118092970
CID 118526494
CID 118526494
CID 142226565
CID 142226565
CID 149743122
CID 149743122
CID 155181341
CID 155181341

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene?
The IUPAC name of 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene (CID 86731869) is 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene.
What is the SMILES notation for 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene?
The canonical SMILES for 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene is C=CCOC1(CC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene?
The InChIKey is IISHHWJHUPVUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2O/c1-3-9-19(22-10-4-2)17-11-13(20)5-7-15(17)16-8-6-14(21)12-18(16)19/h3-8,11-12H,1-2,9-10H2.
What are the key properties of 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene?
2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene has a molecular weight of 420.14 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-prop-2-enoxy-9-prop-2-enylfluorene is sourced from PubChem (CID 86731869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).