3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane

C27H18Br4O — CID 161169135

IUPAC3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane
SMILESBrc1ccc2c(c1)-c1cc(Br)ccc1C2.C.O=C1c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C13H6Br2O.C13H8Br2.CH4/c14-7-1-3-9-11(5-7)12-6-8(15)2-4-10(12)13(9)16;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;/h1-6H;1-4,6-7H,5H2;1H4
InChIKeyUQYHFGTURCSXOK-UHFFFAOYSA-N
MW678.06 g/mol
LogP9.84
Rot. Bonds

About 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane

3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane (PubChem CID 161169135) has the molecular formula C27H18Br4O and a molecular weight of 678.06 g/mol. Its IUPAC name is 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane.

Molecular Properties

Compound Name3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane
PubChem CID161169135
Molecular FormulaC27H18Br4O
Molecular Weight678.06 g/mol
Exact Mass673.81
IUPAC Name3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane
SMILESBrc1ccc2c(c1)-c1cc(Br)ccc1C2.C.O=C1c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C13H6Br2O.C13H8Br2.CH4/c14-7-1-3-9-11(5-7)12-6-8(15)2-4-10(12)13(9)16;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;/h1-6H;1-4,6-7H,5H2;1H4
InChIKeyUQYHFGTURCSXOK-UHFFFAOYSA-N
XLogP9.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.06
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromofluoren-9-one;oxolane
CID 175333740
6-bromo-9-oxofluorene-2-carbaldehyde
CID 15661410
CID 159839282
CID 159839282
14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
CID 145241657
2-bromo-10-methylideneanthracen-9-one
CID 89197821
5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
2-bromo-7-methyl-9H-fluorene
CID 21041918
7-bromoindeno[1,2-c]pyridin-5-one
CID 19093448

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane?
The IUPAC name of 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane (CID 161169135) is 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane.
What is the SMILES notation for 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane?
The canonical SMILES for 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane is Brc1ccc2c(c1)-c1cc(Br)ccc1C2.C.O=C1c2ccc(Br)cc2-c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane?
The InChIKey is UQYHFGTURCSXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2O.C13H8Br2.CH4/c14-7-1-3-9-11(5-7)12-6-8(15)2-4-10(12)13(9)16;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;/h1-6H;1-4,6-7H,5H2;1H4.
What are the key properties of 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane?
3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane has a molecular weight of 678.06 g/mol, XLogP of 9.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane is sourced from PubChem (CID 161169135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).