11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol

C34H23BrO4 — CID 161177931

IUPAC11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol
SMILESOc1ccc2c(c1)Cc1c-2cc2ccc(O)cc2c1Br.Oc1ccc2c(c1)Cc1cc3cc(O)ccc3cc1-2
InChIInChI=1S/C17H11BrO2.C17H12O2/c18-17-14-8-12(20)2-1-9(14)6-15-13-4-3-11(19)5-10(13)7-16(15)17;18-14-2-1-10-9-17-12(5-11(10)7-14)6-13-8-15(19)3-4-16(13)17/h1-6,8,19-20H,7H2;1-5,7-9,18-19H,6H2
InChIKeyUSBGSYATHHRFGA-UHFFFAOYSA-N
MW575.46 g/mol
LogP8.41
Rot. Bonds

About 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol

11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol (PubChem CID 161177931) has the molecular formula C34H23BrO4 and a molecular weight of 575.46 g/mol. Its IUPAC name is 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol.

Molecular Properties

Compound Name11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol
PubChem CID161177931
Molecular FormulaC34H23BrO4
Molecular Weight575.46 g/mol
Exact Mass574.08
IUPAC Name11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol
SMILESOc1ccc2c(c1)Cc1c-2cc2ccc(O)cc2c1Br.Oc1ccc2c(c1)Cc1cc3cc(O)ccc3cc1-2
InChIInChI=1S/C17H11BrO2.C17H12O2/c18-17-14-8-12(20)2-1-9(14)6-15-13-4-3-11(19)5-10(13)7-16(15)17;18-14-2-1-10-9-17-12(5-11(10)7-14)6-13-8-15(19)3-4-16(13)17/h1-6,8,19-20H,7H2;1-5,7-9,18-19H,6H2
InChIKeyUSBGSYATHHRFGA-UHFFFAOYSA-N
XLogP8.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.46
LogP ≤ 58.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol?
The IUPAC name of 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol (CID 161177931) is 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol.
What is the SMILES notation for 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol?
The canonical SMILES for 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol is Oc1ccc2c(c1)Cc1c-2cc2ccc(O)cc2c1Br.Oc1ccc2c(c1)Cc1cc3cc(O)ccc3cc1-2.
What is the InChIKey of 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol?
The InChIKey is USBGSYATHHRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO2.C17H12O2/c18-17-14-8-12(20)2-1-9(14)6-15-13-4-3-11(19)5-10(13)7-16(15)17;18-14-2-1-10-9-17-12(5-11(10)7-14)6-13-8-15(19)3-4-16(13)17/h1-6,8,19-20H,7H2;1-5,7-9,18-19H,6H2.
What are the key properties of 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol?
11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol has a molecular weight of 575.46 g/mol, XLogP of 8.41, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b]fluorene-2,8-diol;10-bromo-11H-benzo[b]fluorene-2,8-diol is sourced from PubChem (CID 161177931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).