9-bromo-10-(10-bromoanthracen-9-yl)anthracene

C28H16Br2 — CID 15195999

IUPAC9-bromo-10-(10-bromoanthracen-9-yl)anthracene
SMILESBrc1c2ccccc2c(-c2c3ccccc3c(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
InChIKeyNPNNLGXEAGTSRN-UHFFFAOYSA-N
MW512.24 g/mol
LogP9.49
Rot. Bonds1

About 9-bromo-10-(10-bromoanthracen-9-yl)anthracene

9-bromo-10-(10-bromoanthracen-9-yl)anthracene (PubChem CID 15195999) has the molecular formula C28H16Br2 and a molecular weight of 512.24 g/mol. Its IUPAC name is 9-bromo-10-(10-bromoanthracen-9-yl)anthracene.

Molecular Properties

Compound Name9-bromo-10-(10-bromoanthracen-9-yl)anthracene
PubChem CID15195999
Molecular FormulaC28H16Br2
Molecular Weight512.24 g/mol
Exact Mass509.96
IUPAC Name9-bromo-10-(10-bromoanthracen-9-yl)anthracene
SMILESBrc1c2ccccc2c(-c2c3ccccc3c(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
InChIKeyNPNNLGXEAGTSRN-UHFFFAOYSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.24
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(10-bromoanthracen-9-yl)anthracene?
The IUPAC name of 9-bromo-10-(10-bromoanthracen-9-yl)anthracene (CID 15195999) is 9-bromo-10-(10-bromoanthracen-9-yl)anthracene.
What is the SMILES notation for 9-bromo-10-(10-bromoanthracen-9-yl)anthracene?
The canonical SMILES for 9-bromo-10-(10-bromoanthracen-9-yl)anthracene is Brc1c2ccccc2c(-c2c3ccccc3c(Br)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-bromo-10-(10-bromoanthracen-9-yl)anthracene?
The InChIKey is NPNNLGXEAGTSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H.
What are the key properties of 9-bromo-10-(10-bromoanthracen-9-yl)anthracene?
9-bromo-10-(10-bromoanthracen-9-yl)anthracene has a molecular weight of 512.24 g/mol, XLogP of 9.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(10-bromoanthracen-9-yl)anthracene is sourced from PubChem (CID 15195999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).