3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene

C49H30O3 — CID 177298639

IUPAC3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)oc4cc(-c6cccc7oc8ccccc8c67)ccc45)ccc32)cc1
InChIInChI=1S/C49H30O3/c1-3-12-34(13-4-1)49(35-14-5-2-6-15-35)40-18-8-10-20-43(40)51-47-29-32(24-27-41(47)49)31-22-25-37-38-26-23-33(30-46(38)52-45(37)28-31)36-17-11-21-44-48(36)39-16-7-9-19-42(39)50-44/h1-30H
InChIKeyWBOGRGPTRMFZSI-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.31
Rot. Bonds4

About 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene

3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene (PubChem CID 177298639) has the molecular formula C49H30O3 and a molecular weight of 666.78 g/mol. Its IUPAC name is 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
PubChem CID177298639
Molecular FormulaC49H30O3
Molecular Weight666.78 g/mol
Exact Mass666.22
IUPAC Name3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)oc4cc(-c6cccc7oc8ccccc8c67)ccc45)ccc32)cc1
InChIInChI=1S/C49H30O3/c1-3-12-34(13-4-1)49(35-14-5-2-6-15-35)40-18-8-10-20-43(40)51-47-29-32(24-27-41(47)49)31-22-25-37-38-26-23-33(30-46(38)52-45(37)28-31)36-17-11-21-44-48(36)39-16-7-9-19-42(39)50-44/h1-30H
InChIKeyWBOGRGPTRMFZSI-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-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177299030
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 165382217
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298345
3-(5-dibenzofuran-4-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298250
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
3-(7-chlorodibenzofuran-1-yl)-9,9-dimethylxanthene
CID 165382152

Frequently Asked Questions

What is the IUPAC name of 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
The IUPAC name of 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene (CID 177298639) is 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
The canonical SMILES for 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)oc4cc(-c6cccc7oc8ccccc8c67)ccc45)ccc32)cc1.
What is the InChIKey of 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
The InChIKey is WBOGRGPTRMFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30O3/c1-3-12-34(13-4-1)49(35-14-5-2-6-15-35)40-18-8-10-20-43(40)51-47-29-32(24-27-41(47)49)31-22-25-37-38-26-23-33(30-46(38)52-45(37)28-31)36-17-11-21-44-48(36)39-16-7-9-19-42(39)50-44/h1-30H.
What are the key properties of 3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene?
3-(7-dibenzofuran-1-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-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 177298639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).