2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol

C34H22Br2O2 — CID 23160230

IUPAC2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol
SMILESOC1(c2ccc3ccccc3c2)c2ccc(Br)cc2C(O)(c2ccc3ccccc3c2)c2ccc(Br)cc21
InChIInChI=1S/C34H22Br2O2/c35-27-14-16-30-31(19-27)33(37,25-11-9-21-5-1-3-7-23(21)17-25)29-15-13-28(36)20-32(29)34(30,38)26-12-10-22-6-2-4-8-24(22)18-26/h1-20,37-38H
InChIKeySQWYCFVTVUUKKM-UHFFFAOYSA-N
MW622.36 g/mol
LogP8.40
Rot. Bonds2

About 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol

2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol (PubChem CID 23160230) has the molecular formula C34H22Br2O2 and a molecular weight of 622.36 g/mol. Its IUPAC name is 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol.

Molecular Properties

Compound Name2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol
PubChem CID23160230
Molecular FormulaC34H22Br2O2
Molecular Weight622.36 g/mol
Exact Mass620.00
IUPAC Name2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol
SMILESOC1(c2ccc3ccccc3c2)c2ccc(Br)cc2C(O)(c2ccc3ccccc3c2)c2ccc(Br)cc21
InChIInChI=1S/C34H22Br2O2/c35-27-14-16-30-31(19-27)33(37,25-11-9-21-5-1-3-7-23(21)17-25)29-15-13-28(36)20-32(29)34(30,38)26-12-10-22-6-2-4-8-24(22)18-26/h1-20,37-38H
InChIKeySQWYCFVTVUUKKM-UHFFFAOYSA-N
XLogP8.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.36
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
The IUPAC name of 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol (CID 23160230) is 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol.
What is the SMILES notation for 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
The canonical SMILES for 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol is OC1(c2ccc3ccccc3c2)c2ccc(Br)cc2C(O)(c2ccc3ccccc3c2)c2ccc(Br)cc21.
What is the InChIKey of 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
The InChIKey is SQWYCFVTVUUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22Br2O2/c35-27-14-16-30-31(19-27)33(37,25-11-9-21-5-1-3-7-23(21)17-25)29-15-13-28(36)20-32(29)34(30,38)26-12-10-22-6-2-4-8-24(22)18-26/h1-20,37-38H.
What are the key properties of 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol?
2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol has a molecular weight of 622.36 g/mol, XLogP of 8.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene-9,10-diol is sourced from PubChem (CID 23160230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).