3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene

C39H28O2 — CID 177297955

IUPAC3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)ccc21
InChIInChI=1S/C39H28O2/c1-39(2)33-8-4-6-10-37(33)41-38-24-30(19-21-34(38)39)28-17-13-26(14-18-28)25-11-15-27(16-12-25)29-20-22-36-32(23-29)31-7-3-5-9-35(31)40-36/h3-24H,1-2H3
InChIKeyIRBWCDYCKIWLGY-UHFFFAOYSA-N
MW528.65 g/mol
LogP11.02
Rot. Bonds3

About 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene

3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene (PubChem CID 177297955) has the molecular formula C39H28O2 and a molecular weight of 528.65 g/mol. Its IUPAC name is 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene.

Molecular Properties

Compound Name3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
PubChem CID177297955
Molecular FormulaC39H28O2
Molecular Weight528.65 g/mol
Exact Mass528.21
IUPAC Name3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)ccc21
InChIInChI=1S/C39H28O2/c1-39(2)33-8-4-6-10-37(33)41-38-24-30(19-21-34(38)39)28-17-13-26(14-18-28)25-11-15-27(16-12-25)29-20-22-36-32(23-29)31-7-3-5-9-35(31)40-36/h3-24H,1-2H3
InChIKeyIRBWCDYCKIWLGY-UHFFFAOYSA-N
XLogP11.02
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline
CID 118698577
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 165382217
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 165382201
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298345
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene?
The IUPAC name of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene (CID 177297955) is 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene.
What is the SMILES notation for 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene?
The canonical SMILES for 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)ccc21.
What is the InChIKey of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene?
The InChIKey is IRBWCDYCKIWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28O2/c1-39(2)33-8-4-6-10-37(33)41-38-24-30(19-21-34(38)39)28-17-13-26(14-18-28)25-11-15-27(16-12-25)29-20-22-36-32(23-29)31-7-3-5-9-35(31)40-36/h3-24H,1-2H3.
What are the key properties of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene?
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene has a molecular weight of 528.65 g/mol, XLogP of 11.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene is sourced from PubChem (CID 177297955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).