2-bromo-9,9-dimethyl-3-phenylxanthene

C21H17BrO — CID 164575078

IUPAC2-bromo-9,9-dimethyl-3-phenylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccccc3)c(Br)cc21
InChIInChI=1S/C21H17BrO/c1-21(2)16-10-6-7-11-19(16)23-20-12-15(18(22)13-17(20)21)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyDWTSRYCIFCTNLS-UHFFFAOYSA-N
MW365.27 g/mol
LogP6.55
Rot. Bonds1

About 2-bromo-9,9-dimethyl-3-phenylxanthene

2-bromo-9,9-dimethyl-3-phenylxanthene (PubChem CID 164575078) has the molecular formula C21H17BrO and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-bromo-9,9-dimethyl-3-phenylxanthene.

Molecular Properties

Compound Name2-bromo-9,9-dimethyl-3-phenylxanthene
PubChem CID164575078
Molecular FormulaC21H17BrO
Molecular Weight365.27 g/mol
Exact Mass364.05
IUPAC Name2-bromo-9,9-dimethyl-3-phenylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccccc3)c(Br)cc21
InChIInChI=1S/C21H17BrO/c1-21(2)16-10-6-7-11-19(16)23-20-12-15(18(22)13-17(20)21)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyDWTSRYCIFCTNLS-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-9,9-dimethyl-3-phenylxanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
CID 166679254
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine
CID 158580057
9,9-dimethylxanthene;phenylphosphane
CID 155388268
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine
CID 164714079
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
9,9-dimethyl-N-phenylxanthen-3-amine
CID 156524764
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dimethyl-3-phenylxanthene?
The IUPAC name of 2-bromo-9,9-dimethyl-3-phenylxanthene (CID 164575078) is 2-bromo-9,9-dimethyl-3-phenylxanthene.
What is the SMILES notation for 2-bromo-9,9-dimethyl-3-phenylxanthene?
The canonical SMILES for 2-bromo-9,9-dimethyl-3-phenylxanthene is CC1(C)c2ccccc2Oc2cc(-c3ccccc3)c(Br)cc21.
What is the InChIKey of 2-bromo-9,9-dimethyl-3-phenylxanthene?
The InChIKey is DWTSRYCIFCTNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrO/c1-21(2)16-10-6-7-11-19(16)23-20-12-15(18(22)13-17(20)21)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of 2-bromo-9,9-dimethyl-3-phenylxanthene?
2-bromo-9,9-dimethyl-3-phenylxanthene has a molecular weight of 365.27 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dimethyl-3-phenylxanthene is sourced from PubChem (CID 164575078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).