1,5-dibromo-9-methyl-9-phenylxanthene

C20H14Br2O — CID 126567870

IUPAC1,5-dibromo-9-methyl-9-phenylxanthene
SMILESCC1(c2ccccc2)c2cccc(Br)c2Oc2cccc(Br)c21
InChIInChI=1S/C20H14Br2O/c1-20(13-7-3-2-4-8-13)14-9-5-11-16(22)19(14)23-17-12-6-10-15(21)18(17)20/h2-12H,1H3
InChIKeyFFRUHRCVEGKLBJ-UHFFFAOYSA-N
MW430.14 g/mol
LogP6.67
Rot. Bonds1

About 1,5-dibromo-9-methyl-9-phenylxanthene

1,5-dibromo-9-methyl-9-phenylxanthene (PubChem CID 126567870) has the molecular formula C20H14Br2O and a molecular weight of 430.14 g/mol. Its IUPAC name is 1,5-dibromo-9-methyl-9-phenylxanthene.

Molecular Properties

Compound Name1,5-dibromo-9-methyl-9-phenylxanthene
PubChem CID126567870
Molecular FormulaC20H14Br2O
Molecular Weight430.14 g/mol
Exact Mass427.94
IUPAC Name1,5-dibromo-9-methyl-9-phenylxanthene
SMILESCC1(c2ccccc2)c2cccc(Br)c2Oc2cccc(Br)c21
InChIInChI=1S/C20H14Br2O/c1-20(13-7-3-2-4-8-13)14-9-5-11-16(22)19(14)23-17-12-6-10-15(21)18(17)20/h2-12H,1H3
InChIKeyFFRUHRCVEGKLBJ-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.14
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

16-bromo-10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 138574315
5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine
CID 118081175
9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
4-bromo-9,9-dimethylxanthene;(3-bromophenyl)-[(9,9-dimethylxanthen-4-yl)methyl]-diphenylsilane;1,3-dibromobenzene
CID 158668805
1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 15122151
11-methyl-11-phenyl-4-oxa-1-azaheptacyclo[15.11.1.02,15.03,12.05,10.021,29.023,28]nonacosa-2(15),3(12),5,7,9,13,17,19,21(29),23,25,27-dodecaene-16,22-dione
CID 165054392
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-15-carbonitrile
CID 163475714
7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran
CID 11066555
2-bromo-9,9-dimethyl-3-phenylxanthene
CID 164575078
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-9-methyl-9-phenylxanthene?
The IUPAC name of 1,5-dibromo-9-methyl-9-phenylxanthene (CID 126567870) is 1,5-dibromo-9-methyl-9-phenylxanthene.
What is the SMILES notation for 1,5-dibromo-9-methyl-9-phenylxanthene?
The canonical SMILES for 1,5-dibromo-9-methyl-9-phenylxanthene is CC1(c2ccccc2)c2cccc(Br)c2Oc2cccc(Br)c21.
What is the InChIKey of 1,5-dibromo-9-methyl-9-phenylxanthene?
The InChIKey is FFRUHRCVEGKLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2O/c1-20(13-7-3-2-4-8-13)14-9-5-11-16(22)19(14)23-17-12-6-10-15(21)18(17)20/h2-12H,1H3.
What are the key properties of 1,5-dibromo-9-methyl-9-phenylxanthene?
1,5-dibromo-9-methyl-9-phenylxanthene has a molecular weight of 430.14 g/mol, XLogP of 6.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-9-methyl-9-phenylxanthene is sourced from PubChem (CID 126567870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).