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

C49H32O2 — CID 177298087

IUPAC3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C49H32O2/c1-3-11-39(12-4-1)49(40-13-5-2-6-14-40)43-16-8-10-18-47(43)51-48-32-38(27-29-44(48)49)36-25-21-34(22-26-36)33-19-23-35(24-20-33)37-28-30-46-42(31-37)41-15-7-9-17-45(41)50-46/h1-32H
InChIKeyIZONMAKWWMUFJU-UHFFFAOYSA-N
MW652.79 g/mol
LogP13.08
Rot. Bonds5

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

3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene (PubChem CID 177298087) has the molecular formula C49H32O2 and a molecular weight of 652.79 g/mol. Its IUPAC name is 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
PubChem CID177298087
Molecular FormulaC49H32O2
Molecular Weight652.79 g/mol
Exact Mass652.24
IUPAC Name3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C49H32O2/c1-3-11-39(12-4-1)49(40-13-5-2-6-14-40)43-16-8-10-18-47(43)51-48-32-38(27-29-44(48)49)36-25-21-34(22-26-36)33-19-23-35(24-20-33)37-28-30-46-42(31-37)41-15-7-9-17-45(41)50-46/h1-32H
InChIKeyIZONMAKWWMUFJU-UHFFFAOYSA-N
XLogP13.08
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.79
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298345
4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline
CID 118698577
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177297955
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
3-(5-dibenzofuran-4-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298250

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene?
The IUPAC name of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene (CID 177298087) is 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene.
What is the SMILES notation for 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene?
The canonical SMILES for 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene?
The InChIKey is IZONMAKWWMUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O2/c1-3-11-39(12-4-1)49(40-13-5-2-6-14-40)43-16-8-10-18-47(43)51-48-32-38(27-29-44(48)49)36-25-21-34(22-26-36)33-19-23-35(24-20-33)37-28-30-46-42(31-37)41-15-7-9-17-45(41)50-46/h1-32H.
What are the key properties of 3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene?
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene has a molecular weight of 652.79 g/mol, XLogP of 13.08, 5 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-diphenylxanthene is sourced from PubChem (CID 177298087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).