benzene;3,4-dibromo-9H-fluorene

C19H14Br2 — CID 159679673

IUPACbenzene;3,4-dibromo-9H-fluorene
SMILESBrc1ccc2c(c1Br)-c1ccccc1C2.c1ccccc1
InChIInChI=1S/C13H8Br2.C6H6/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15;1-2-4-6-5-3-1/h1-6H,7H2;1-6H
InChIKeyMVBCJOUIRVJJCN-UHFFFAOYSA-N
MW402.13 g/mol
LogP6.47
Rot. Bonds

About benzene;3,4-dibromo-9H-fluorene

benzene;3,4-dibromo-9H-fluorene (PubChem CID 159679673) has the molecular formula C19H14Br2 and a molecular weight of 402.13 g/mol. Its IUPAC name is benzene;3,4-dibromo-9H-fluorene.

Molecular Properties

Compound Namebenzene;3,4-dibromo-9H-fluorene
PubChem CID159679673
Molecular FormulaC19H14Br2
Molecular Weight402.13 g/mol
Exact Mass399.95
IUPAC Namebenzene;3,4-dibromo-9H-fluorene
SMILESBrc1ccc2c(c1Br)-c1ccccc1C2.c1ccccc1
InChIInChI=1S/C13H8Br2.C6H6/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15;1-2-4-6-5-3-1/h1-6H,7H2;1-6H
InChIKeyMVBCJOUIRVJJCN-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.13
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,4-dichloro-9H-fluorene
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cadmium;9H-fluorene
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azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
CID 91804905
azane;9H-fluorene;hydrobromide
CID 174352852

Frequently Asked Questions

What is the IUPAC name of benzene;3,4-dibromo-9H-fluorene?
The IUPAC name of benzene;3,4-dibromo-9H-fluorene (CID 159679673) is benzene;3,4-dibromo-9H-fluorene.
What is the SMILES notation for benzene;3,4-dibromo-9H-fluorene?
The canonical SMILES for benzene;3,4-dibromo-9H-fluorene is Brc1ccc2c(c1Br)-c1ccccc1C2.c1ccccc1.
What is the InChIKey of benzene;3,4-dibromo-9H-fluorene?
The InChIKey is MVBCJOUIRVJJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2.C6H6/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15;1-2-4-6-5-3-1/h1-6H,7H2;1-6H.
What are the key properties of benzene;3,4-dibromo-9H-fluorene?
benzene;3,4-dibromo-9H-fluorene has a molecular weight of 402.13 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3,4-dibromo-9H-fluorene is sourced from PubChem (CID 159679673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).