1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran

C50H32O — CID 176777662

IUPAC1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5oc6c(-c7ccccc7)cccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C50H32O/c1-4-16-33(17-5-1)36-30-37(34-18-6-2-7-19-34)32-38(31-36)47-40-22-10-12-24-42(40)48(43-25-13-11-23-41(43)47)44-27-15-29-46-49(44)45-28-14-26-39(50(45)51-46)35-20-8-3-9-21-35/h1-32H
InChIKeyLSZPMDBLNQJFBK-UHFFFAOYSA-N
MW648.81 g/mol
LogP14.23
Rot. Bonds5

About 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran

1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran (PubChem CID 176777662) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran.

Molecular Properties

Compound Name1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
PubChem CID176777662
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5oc6c(-c7ccccc7)cccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C50H32O/c1-4-16-33(17-5-1)36-30-37(34-18-6-2-7-19-34)32-38(31-36)47-40-22-10-12-24-42(40)48(43-25-13-11-23-41(43)47)44-27-15-29-46-49(44)45-28-14-26-39(50(45)51-46)35-20-8-3-9-21-35/h1-32H
InChIKeyLSZPMDBLNQJFBK-UHFFFAOYSA-N
XLogP14.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1,6-diphenyldibenzofuran
CID 145331756
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(3-phenylphenyl)dibenzofuran
CID 165169810
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897

Frequently Asked Questions

What is the IUPAC name of 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
The IUPAC name of 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran (CID 176777662) is 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran.
What is the SMILES notation for 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
The canonical SMILES for 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5oc6c(-c7ccccc7)cccc6c45)c4ccccc34)c2)cc1.
What is the InChIKey of 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
The InChIKey is LSZPMDBLNQJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-4-16-33(17-5-1)36-30-37(34-18-6-2-7-19-34)32-38(31-36)47-40-22-10-12-24-42(40)48(43-25-13-11-23-41(43)47)44-27-15-29-46-49(44)45-28-14-26-39(50(45)51-46)35-20-8-3-9-21-35/h1-32H.
What are the key properties of 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran has a molecular weight of 648.81 g/mol, XLogP of 14.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran is sourced from PubChem (CID 176777662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).