2'-bromospiro[adamantane-2,9'-xanthene]

C22H21BrO — CID 169099359

IUPAC2'-bromospiro[adamantane-2,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H21BrO/c23-17-5-6-21-19(12-17)22(18-3-1-2-4-20(18)24-21)15-8-13-7-14(10-15)11-16(22)9-13/h1-6,12-16H,7-11H2
InChIKeyQPQBSOYCCSHBAM-UHFFFAOYSA-N
MW381.31 g/mol
LogP6.30
Rot. Bonds

About 2'-bromospiro[adamantane-2,9'-xanthene]

2'-bromospiro[adamantane-2,9'-xanthene] (PubChem CID 169099359) has the molecular formula C22H21BrO and a molecular weight of 381.31 g/mol. Its IUPAC name is 2'-bromospiro[adamantane-2,9'-xanthene].

Molecular Properties

Compound Name2'-bromospiro[adamantane-2,9'-xanthene]
PubChem CID169099359
Molecular FormulaC22H21BrO
Molecular Weight381.31 g/mol
Exact Mass380.08
IUPAC Name2'-bromospiro[adamantane-2,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H21BrO/c23-17-5-6-21-19(12-17)22(18-3-1-2-4-20(18)24-21)15-8-13-7-14(10-15)11-16(22)9-13/h1-6,12-16H,7-11H2
InChIKeyQPQBSOYCCSHBAM-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-spiro[adamantane-2,9'-xanthene]-2'-yl-1,3,5-triazine
CID 166017775
7'-bromo-N,N-diphenylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168734167
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017992
5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176595004
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176594862
N-dibenzofuran-4-yl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-xanthene]-2'-amine
CID 176595146
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166017806
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,9'-xanthene]-3'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166017792
9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene
CID 170031956
2,2-bis(2-methylphenyl)adamantane
CID 173019574
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-xanthene]-3'-amine
CID 176595278
5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
CID 176596088

Frequently Asked Questions

What is the IUPAC name of 2'-bromospiro[adamantane-2,9'-xanthene]?
The IUPAC name of 2'-bromospiro[adamantane-2,9'-xanthene] (CID 169099359) is 2'-bromospiro[adamantane-2,9'-xanthene].
What is the SMILES notation for 2'-bromospiro[adamantane-2,9'-xanthene]?
The canonical SMILES for 2'-bromospiro[adamantane-2,9'-xanthene] is Brc1ccc2c(c1)C1(c3ccccc3O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2'-bromospiro[adamantane-2,9'-xanthene]?
The InChIKey is QPQBSOYCCSHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrO/c23-17-5-6-21-19(12-17)22(18-3-1-2-4-20(18)24-21)15-8-13-7-14(10-15)11-16(22)9-13/h1-6,12-16H,7-11H2.
What are the key properties of 2'-bromospiro[adamantane-2,9'-xanthene]?
2'-bromospiro[adamantane-2,9'-xanthene] has a molecular weight of 381.31 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromospiro[adamantane-2,9'-xanthene] is sourced from PubChem (CID 169099359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).