1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]

C28H21Br — CID 142567703

IUPAC1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(Br)c21
InChIInChI=1S/C28H21Br/c1-27(2)22-14-7-8-15-23(22)28(24-16-9-17-25(29)26(24)27)20-12-5-3-10-18(20)19-11-4-6-13-21(19)28/h3-17H,1-2H3
InChIKeyXRNCQRMIPZICRX-UHFFFAOYSA-N
MW437.38 g/mol
LogP7.45
Rot. Bonds

About 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]

1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene] (PubChem CID 142567703) has the molecular formula C28H21Br and a molecular weight of 437.38 g/mol. Its IUPAC name is 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene].

Molecular Properties

Compound Name1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
PubChem CID142567703
Molecular FormulaC28H21Br
Molecular Weight437.38 g/mol
Exact Mass436.08
IUPAC Name1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(Br)c21
InChIInChI=1S/C28H21Br/c1-27(2)22-14-7-8-15-23(22)28(24-16-9-17-25(29)26(24)27)20-12-5-3-10-18(20)19-11-4-6-13-21(19)28/h3-17H,1-2H3
InChIKeyXRNCQRMIPZICRX-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The IUPAC name of 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene] (CID 142567703) is 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene].
What is the SMILES notation for 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The canonical SMILES for 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene] is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(Br)c21.
What is the InChIKey of 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The InChIKey is XRNCQRMIPZICRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Br/c1-27(2)22-14-7-8-15-23(22)28(24-16-9-17-25(29)26(24)27)20-12-5-3-10-18(20)19-11-4-6-13-21(19)28/h3-17H,1-2H3.
What are the key properties of 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene] has a molecular weight of 437.38 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene] is sourced from PubChem (CID 142567703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).