3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]

C25H14BrClO — CID 148559935

IUPAC3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
SMILESClc1ccc2c(c1)Oc1cc(Br)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H14BrClO/c26-15-9-11-21-23(13-15)28-24-14-16(27)10-12-22(24)25(21)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H
InChIKeyMUUMAXKPXZDYLB-UHFFFAOYSA-N
MW445.74 g/mol
LogP7.57
Rot. Bonds

About 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]

3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene] (PubChem CID 148559935) has the molecular formula C25H14BrClO and a molecular weight of 445.74 g/mol. Its IUPAC name is 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
PubChem CID148559935
Molecular FormulaC25H14BrClO
Molecular Weight445.74 g/mol
Exact Mass443.99
IUPAC Name3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
SMILESClc1ccc2c(c1)Oc1cc(Br)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H14BrClO/c26-15-9-11-21-23(13-15)28-24-14-16(27)10-12-22(24)25(21)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H
InChIKeyMUUMAXKPXZDYLB-UHFFFAOYSA-N
XLogP7.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.74
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
CID 164550694
4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
CID 163284705
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
5-(6'-bromospiro[fluorene-9,9'-xanthene]-3'-yl)oxy-1-N,3-N-diphenylbenzene-1,3-diamine
CID 175739418
2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]
CID 168854083
2-bromo-6-chloro-9,9-dimethylxanthene
CID 163217021
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
CID 166844859
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
CID 102192841
CID 102192841
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718

Frequently Asked Questions

What is the IUPAC name of 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene] (CID 148559935) is 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene] is Clc1ccc2c(c1)Oc1cc(Br)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]?
The InChIKey is MUUMAXKPXZDYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrClO/c26-15-9-11-21-23(13-15)28-24-14-16(27)10-12-22(24)25(21)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H.
What are the key properties of 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]?
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene] has a molecular weight of 445.74 g/mol, XLogP of 7.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 148559935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).