7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]

C26H17Br — CID 142391308

IUPAC7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]
SMILESBrC1=CC=C2C(=CC1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H17Br/c27-17-13-15-21-20-9-3-6-12-24(20)26(25(21)16-14-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-12,14-16H,13H2
InChIKeyOMQHQKSOKROTMH-UHFFFAOYSA-N
MW409.33 g/mol
LogP7.01
Rot. Bonds

About 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]

7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene] (PubChem CID 142391308) has the molecular formula C26H17Br and a molecular weight of 409.33 g/mol. Its IUPAC name is 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene].

Molecular Properties

Compound Name7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]
PubChem CID142391308
Molecular FormulaC26H17Br
Molecular Weight409.33 g/mol
Exact Mass408.05
IUPAC Name7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]
SMILESBrC1=CC=C2C(=CC1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H17Br/c27-17-13-15-21-20-9-3-6-12-24(20)26(25(21)16-14-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-12,14-16H,13H2
InChIKeyOMQHQKSOKROTMH-UHFFFAOYSA-N
XLogP7.01
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 ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene] with MolForge

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Related Compounds

2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
spiro[2H-cyclopenta[a]indene-4,9'-fluorene]-2-amine
CID 167169747
9,9-diphenyl-2H-fluoren-3-one
CID 123144463
spiro[10H-acridine-9,9'-fluorene]
CID 13293439
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 123741580
5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
CID 155157623
4,4-bis(prop-2-enyl)-2H-cyclopenta[a]indene;methane
CID 143545860
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745
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
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]?
The IUPAC name of 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene] (CID 142391308) is 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene].
What is the SMILES notation for 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]?
The canonical SMILES for 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene] is BrC1=CC=C2C(=CC1)c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]?
The InChIKey is OMQHQKSOKROTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br/c27-17-13-15-21-20-9-3-6-12-24(20)26(25(21)16-14-17)22-10-4-1-7-18(22)19-8-2-5-11-23(19)26/h1-12,14-16H,13H2.
What are the key properties of 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]?
7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene] has a molecular weight of 409.33 g/mol, XLogP of 7.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene] is sourced from PubChem (CID 142391308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).