1'-bromospiro[9H-anthracene-10,9'-fluorene]

C26H17Br — CID 142509759

IUPAC1'-bromospiro[9H-anthracene-10,9'-fluorene]
SMILESBrc1cccc2c1C1(c3ccccc3Cc3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H17Br/c27-24-15-7-11-20-19-10-3-6-14-23(19)26(25(20)24)21-12-4-1-8-17(21)16-18-9-2-5-13-22(18)26/h1-15H,16H2
InChIKeyUTGGRBNHOGTTTM-UHFFFAOYSA-N
MW409.33 g/mol
LogP6.72
Rot. Bonds

About 1'-bromospiro[9H-anthracene-10,9'-fluorene]

1'-bromospiro[9H-anthracene-10,9'-fluorene] (PubChem CID 142509759) has the molecular formula C26H17Br and a molecular weight of 409.33 g/mol. Its IUPAC name is 1'-bromospiro[9H-anthracene-10,9'-fluorene].

Molecular Properties

Compound Name1'-bromospiro[9H-anthracene-10,9'-fluorene]
PubChem CID142509759
Molecular FormulaC26H17Br
Molecular Weight409.33 g/mol
Exact Mass408.05
IUPAC Name1'-bromospiro[9H-anthracene-10,9'-fluorene]
SMILESBrc1cccc2c1C1(c3ccccc3Cc3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H17Br/c27-24-15-7-11-20-19-10-3-6-14-23(19)26(25(20)24)21-12-4-1-8-17(21)16-18-9-2-5-13-22(18)26/h1-15H,16H2
InChIKeyUTGGRBNHOGTTTM-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]
CID 158426402
1'-bromospiro[fluorene-9,9'-thioxanthene]
CID 175709351
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
CID 165034994
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
CID 141181007
(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]
CID 121391893

Frequently Asked Questions

What is the IUPAC name of 1'-bromospiro[9H-anthracene-10,9'-fluorene]?
The IUPAC name of 1'-bromospiro[9H-anthracene-10,9'-fluorene] (CID 142509759) is 1'-bromospiro[9H-anthracene-10,9'-fluorene].
What is the SMILES notation for 1'-bromospiro[9H-anthracene-10,9'-fluorene]?
The canonical SMILES for 1'-bromospiro[9H-anthracene-10,9'-fluorene] is Brc1cccc2c1C1(c3ccccc3Cc3ccccc31)c1ccccc1-2.
What is the InChIKey of 1'-bromospiro[9H-anthracene-10,9'-fluorene]?
The InChIKey is UTGGRBNHOGTTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br/c27-24-15-7-11-20-19-10-3-6-14-23(19)26(25(20)24)21-12-4-1-8-17(21)16-18-9-2-5-13-22(18)26/h1-15H,16H2.
What are the key properties of 1'-bromospiro[9H-anthracene-10,9'-fluorene]?
1'-bromospiro[9H-anthracene-10,9'-fluorene] has a molecular weight of 409.33 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-bromospiro[9H-anthracene-10,9'-fluorene] is sourced from PubChem (CID 142509759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).