3'-bromospiro[10H-acridine-9,10'-9H-anthracene]

C26H18BrN — CID 147628899

IUPAC3'-bromospiro[10H-acridine-9,10'-9H-anthracene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2Nc2ccccc21
InChIInChI=1S/C26H18BrN/c27-19-14-13-18-15-17-7-1-2-8-20(17)26(23(18)16-19)21-9-3-5-11-24(21)28-25-12-6-4-10-22(25)26/h1-14,16,28H,15H2
InChIKeyGFHZERZUQXTNMQ-UHFFFAOYSA-N
MW424.34 g/mol
LogP6.79
Rot. Bonds

About 3'-bromospiro[10H-acridine-9,10'-9H-anthracene]

3'-bromospiro[10H-acridine-9,10'-9H-anthracene] (PubChem CID 147628899) has the molecular formula C26H18BrN and a molecular weight of 424.34 g/mol. Its IUPAC name is 3'-bromospiro[10H-acridine-9,10'-9H-anthracene].

Molecular Properties

Compound Name3'-bromospiro[10H-acridine-9,10'-9H-anthracene]
PubChem CID147628899
Molecular FormulaC26H18BrN
Molecular Weight424.34 g/mol
Exact Mass423.06
IUPAC Name3'-bromospiro[10H-acridine-9,10'-9H-anthracene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2Nc2ccccc21
InChIInChI=1S/C26H18BrN/c27-19-14-13-18-15-17-7-1-2-8-20(17)26(23(18)16-19)21-9-3-5-11-24(21)28-25-12-6-4-10-22(25)26/h1-14,16,28H,15H2
InChIKeyGFHZERZUQXTNMQ-UHFFFAOYSA-N
XLogP6.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3'-bromospiro[10H-acridine-9,10'-9H-anthracene] with MolForge

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Related Compounds

9,9'-spirobi[10H-acridine]
CID 11210173
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
9,10-dihydroacridine
CID 137366999
spiro[10H-acridine-9,9'-fluorene]
CID 13293439
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
CID 159345620
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
5,7,12,14-tetrahydroquinolino[3,2-b]acridine
CID 158918196
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 1425696
3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83037208

Frequently Asked Questions

What is the IUPAC name of 3'-bromospiro[10H-acridine-9,10'-9H-anthracene]?
The IUPAC name of 3'-bromospiro[10H-acridine-9,10'-9H-anthracene] (CID 147628899) is 3'-bromospiro[10H-acridine-9,10'-9H-anthracene].
What is the SMILES notation for 3'-bromospiro[10H-acridine-9,10'-9H-anthracene]?
The canonical SMILES for 3'-bromospiro[10H-acridine-9,10'-9H-anthracene] is Brc1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2Nc2ccccc21.
What is the InChIKey of 3'-bromospiro[10H-acridine-9,10'-9H-anthracene]?
The InChIKey is GFHZERZUQXTNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrN/c27-19-14-13-18-15-17-7-1-2-8-20(17)26(23(18)16-19)21-9-3-5-11-24(21)28-25-12-6-4-10-22(25)26/h1-14,16,28H,15H2.
What are the key properties of 3'-bromospiro[10H-acridine-9,10'-9H-anthracene]?
3'-bromospiro[10H-acridine-9,10'-9H-anthracene] has a molecular weight of 424.34 g/mol, XLogP of 6.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-bromospiro[10H-acridine-9,10'-9H-anthracene] is sourced from PubChem (CID 147628899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).