3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene

C53H36O2 — CID 177298511

IUPAC3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)Oc5ccccc5C6(c5ccccc5)c5ccccc5)o4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C53H36O2/c1-5-15-38(16-6-1)45-31-29-41(35-46(45)39-17-7-2-8-18-39)37-25-27-40(28-26-37)49-33-34-50(54-49)42-30-32-48-52(36-42)55-51-24-14-13-23-47(51)53(48,43-19-9-3-10-20-43)44-21-11-4-12-22-44/h1-36H
InChIKeyGFVVIWVCOPCMDY-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.10
Rot. Bonds7

About 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene

3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene (PubChem CID 177298511) has the molecular formula C53H36O2 and a molecular weight of 704.87 g/mol. Its IUPAC name is 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene
PubChem CID177298511
Molecular FormulaC53H36O2
Molecular Weight704.87 g/mol
Exact Mass704.27
IUPAC Name3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)Oc5ccccc5C6(c5ccccc5)c5ccccc5)o4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C53H36O2/c1-5-15-38(16-6-1)45-31-29-41(35-46(45)39-17-7-2-8-18-39)37-25-27-40(28-26-37)49-33-34-50(54-49)42-30-32-48-52(36-42)55-51-24-14-13-23-47(51)53(48,43-19-9-3-10-20-43)44-21-11-4-12-22-44/h1-36H
InChIKeyGFVVIWVCOPCMDY-UHFFFAOYSA-N
XLogP14.10
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590
3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene
CID 177297791
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146388732
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
2-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene?
The IUPAC name of 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene (CID 177298511) is 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene.
What is the SMILES notation for 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene?
The canonical SMILES for 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)Oc5ccccc5C6(c5ccccc5)c5ccccc5)o4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene?
The InChIKey is GFVVIWVCOPCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36O2/c1-5-15-38(16-6-1)45-31-29-41(35-46(45)39-17-7-2-8-18-39)37-25-27-40(28-26-37)49-33-34-50(54-49)42-30-32-48-52(36-42)55-51-24-14-13-23-47(51)53(48,43-19-9-3-10-20-43)44-21-11-4-12-22-44/h1-36H.
What are the key properties of 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene?
3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene has a molecular weight of 704.87 g/mol, XLogP of 14.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene is sourced from PubChem (CID 177298511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).