2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]

C25H14BrClO — CID 166844859

IUPAC2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
SMILESClc1cc(Br)cc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H14BrClO/c26-15-13-20-24(21(27)14-15)16-7-1-2-8-17(16)25(20)18-9-3-5-11-22(18)28-23-12-6-4-10-19(23)25/h1-14H
InChIKeyMMXSEQQNRORJDF-UHFFFAOYSA-N
MW445.74 g/mol
LogP7.57
Rot. Bonds

About 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]

2-bromo-4-chlorospiro[fluorene-9,9'-xanthene] (PubChem CID 166844859) has the molecular formula C25H14BrClO and a molecular weight of 445.74 g/mol. Its IUPAC name is 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
PubChem CID166844859
Molecular FormulaC25H14BrClO
Molecular Weight445.74 g/mol
Exact Mass443.99
IUPAC Name2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
SMILESClc1cc(Br)cc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H14BrClO/c26-15-13-20-24(21(27)14-15)16-7-1-2-8-17(16)25(20)18-9-3-5-11-22(18)28-23-12-6-4-10-19(23)25/h1-14H
InChIKeyMMXSEQQNRORJDF-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

2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]
CID 177084529
2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
CID 166844508
2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]
CID 168854083
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
CID 163284705
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 164783629
spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
CID 159396129
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]
CID 171780099
4-(5-chlorospiro[fluorene-9,9'-xanthene]-3-yl)aniline
CID 139476077

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene] (CID 166844859) is 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene] is Clc1cc(Br)cc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]?
The InChIKey is MMXSEQQNRORJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrClO/c26-15-13-20-24(21(27)14-15)16-7-1-2-8-17(16)25(20)18-9-3-5-11-22(18)28-23-12-6-4-10-19(23)25/h1-14H.
What are the key properties of 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]?
2-bromo-4-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 2-bromo-4-chlorospiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 166844859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).