4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]

C26H17BrO — CID 134504794

IUPAC4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]
SMILESBrc1cccc2c1OC1=C(C=CCC=C1)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H17BrO/c27-23-15-8-14-22-25(23)28-24-16-3-1-2-13-21(24)26(22)19-11-6-4-9-17(19)18-10-5-7-12-20(18)26/h2-16H,1H2
InChIKeyIGEDDKLVTGDHEG-UHFFFAOYSA-N
MW425.33 g/mol
LogP6.93
Rot. Bonds

About 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]

4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene] (PubChem CID 134504794) has the molecular formula C26H17BrO and a molecular weight of 425.33 g/mol. Its IUPAC name is 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene].

Molecular Properties

Compound Name4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]
PubChem CID134504794
Molecular FormulaC26H17BrO
Molecular Weight425.33 g/mol
Exact Mass424.05
IUPAC Name4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]
SMILESBrc1cccc2c1OC1=C(C=CCC=C1)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H17BrO/c27-23-15-8-14-22-25(23)28-24-16-3-1-2-13-21(24)26(22)19-11-6-4-9-17(19)18-10-5-7-12-20(18)26/h2-16H,1H2
InChIKeyIGEDDKLVTGDHEG-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene] with MolForge

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Related Compounds

(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
ethane;10,10'-spirobi[7H-benzo[a]azulene]
CID 168937553
16-bromo-10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 138574315
1'-bromospiro[9H-anthracene-10,9'-fluorene]
CID 142509759
1'-bromospiro[fluorene-9,9'-thioxanthene]
CID 175709351
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
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
5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
CID 155157623
4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene
CID 123797227
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
CID 141181007
10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]
CID 159532918
9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole
CID 167178045

Frequently Asked Questions

What is the IUPAC name of 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]?
The IUPAC name of 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene] (CID 134504794) is 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene].
What is the SMILES notation for 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]?
The canonical SMILES for 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene] is Brc1cccc2c1OC1=C(C=CCC=C1)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]?
The InChIKey is IGEDDKLVTGDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrO/c27-23-15-8-14-22-25(23)28-24-16-3-1-2-13-21(24)26(22)19-11-6-4-9-17(19)18-10-5-7-12-20(18)26/h2-16H,1H2.
What are the key properties of 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]?
4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene] has a molecular weight of 425.33 g/mol, XLogP of 6.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene] is sourced from PubChem (CID 134504794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).