3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene

C49H30O3 — CID 177299078

IUPAC3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)oc4cc(-c6ccc7oc8ccccc8c7c6)ccc45)ccc32)cc1
InChIInChI=1S/C49H30O3/c1-3-11-35(12-4-1)49(36-13-5-2-6-14-36)41-16-8-10-18-45(41)51-48-30-34(21-25-42(48)49)33-20-24-39-38-23-19-32(28-46(38)52-47(39)29-33)31-22-26-44-40(27-31)37-15-7-9-17-43(37)50-44/h1-30H
InChIKeyJUZXNIXJLLHFRO-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.31
Rot. Bonds4

About 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene

3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene (PubChem CID 177299078) has the molecular formula C49H30O3 and a molecular weight of 666.78 g/mol. Its IUPAC name is 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
PubChem CID177299078
Molecular FormulaC49H30O3
Molecular Weight666.78 g/mol
Exact Mass666.22
IUPAC Name3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)oc4cc(-c6ccc7oc8ccccc8c7c6)ccc45)ccc32)cc1
InChIInChI=1S/C49H30O3/c1-3-11-35(12-4-1)49(36-13-5-2-6-14-36)41-16-8-10-18-45(41)51-48-30-34(21-25-42(48)49)33-20-24-39-38-23-19-32(28-46(38)52-47(39)29-33)31-22-26-44-40(27-31)37-15-7-9-17-43(37)50-44/h1-30H
InChIKeyJUZXNIXJLLHFRO-UHFFFAOYSA-N
XLogP13.31
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
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-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
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
1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177299030
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
3-(5-dibenzofuran-4-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298250

Frequently Asked Questions

What is the IUPAC name of 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
The IUPAC name of 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene (CID 177299078) is 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
The canonical SMILES for 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)oc4cc(-c6ccc7oc8ccccc8c7c6)ccc45)ccc32)cc1.
What is the InChIKey of 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
The InChIKey is JUZXNIXJLLHFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30O3/c1-3-11-35(12-4-1)49(36-13-5-2-6-14-36)41-16-8-10-18-45(41)51-48-30-34(21-25-42(48)49)33-20-24-39-38-23-19-32(28-46(38)52-47(39)29-33)31-22-26-44-40(27-31)37-15-7-9-17-43(37)50-44/h1-30H.
What are the key properties of 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene has a molecular weight of 666.78 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 177299078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).