2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]

C31H19BrO — CID 170180907

IUPAC2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Oc3ccc(-c4ccccc4)cc31)c1ccccc1-2
InChIInChI=1S/C31H19BrO/c32-22-15-16-24-23-10-4-5-11-25(23)31(27(24)19-22)26-12-6-7-13-29(26)33-30-17-14-21(18-28(30)31)20-8-2-1-3-9-20/h1-19H
InChIKeyMFYKHNKSHSOFBI-UHFFFAOYSA-N
MW487.40 g/mol
LogP8.58
Rot. Bonds1

About 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]

2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene] (PubChem CID 170180907) has the molecular formula C31H19BrO and a molecular weight of 487.40 g/mol. Its IUPAC name is 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
PubChem CID170180907
Molecular FormulaC31H19BrO
Molecular Weight487.40 g/mol
Exact Mass486.06
IUPAC Name2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Oc3ccc(-c4ccccc4)cc31)c1ccccc1-2
InChIInChI=1S/C31H19BrO/c32-22-15-16-24-23-10-4-5-11-25(23)31(27(24)19-22)26-12-6-7-13-29(26)33-30-17-14-21(18-28(30)31)20-8-2-1-3-9-20/h1-19H
InChIKeyMFYKHNKSHSOFBI-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene] (CID 170180907) is 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene] is Brc1ccc2c(c1)C1(c3ccccc3Oc3ccc(-c4ccccc4)cc31)c1ccccc1-2.
What is the InChIKey of 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]?
The InChIKey is MFYKHNKSHSOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrO/c32-22-15-16-24-23-10-4-5-11-25(23)31(27(24)19-22)26-12-6-7-13-29(26)33-30-17-14-21(18-28(30)31)20-8-2-1-3-9-20/h1-19H.
What are the key properties of 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]?
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene] has a molecular weight of 487.40 g/mol, XLogP of 8.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170180907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).