9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene

C29H20Br4S2 — CID 162206564

IUPAC9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene
SMILESBrc1ccc2c(c1)Cc1cc(Br)ccc1-2.CSC(SC)=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C16H12Br2S2.C13H8Br2/c1-19-16(20-2)15-13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)15;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h3-8H,1-2H3;1-4,6-7H,5H2
InChIKeyZSGRBCQCVIZILH-UHFFFAOYSA-N
MW752.23 g/mol
LogP11.42
Rot. Bonds2

About 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene

9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene (PubChem CID 162206564) has the molecular formula C29H20Br4S2 and a molecular weight of 752.23 g/mol. Its IUPAC name is 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene.

Molecular Properties

Compound Name9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene
PubChem CID162206564
Molecular FormulaC29H20Br4S2
Molecular Weight752.23 g/mol
Exact Mass747.77
IUPAC Name9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene
SMILESBrc1ccc2c(c1)Cc1cc(Br)ccc1-2.CSC(SC)=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C16H12Br2S2.C13H8Br2/c1-19-16(20-2)15-13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)15;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h3-8H,1-2H3;1-4,6-7H,5H2
InChIKeyZSGRBCQCVIZILH-UHFFFAOYSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.23
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene?
The IUPAC name of 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene (CID 162206564) is 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene.
What is the SMILES notation for 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene?
The canonical SMILES for 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene is Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.CSC(SC)=C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene?
The InChIKey is ZSGRBCQCVIZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2S2.C13H8Br2/c1-19-16(20-2)15-13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)15;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h3-8H,1-2H3;1-4,6-7H,5H2.
What are the key properties of 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene?
9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene has a molecular weight of 752.23 g/mol, XLogP of 11.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis(methylsulfanyl)methylidene]-2,7-dibromofluorene;2,7-dibromo-9H-fluorene is sourced from PubChem (CID 162206564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).