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

C50H28O3 — CID 153314459

IUPAC7-(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
SMILESc1ccc(-c2cccc3c2oc2ccc4oc5c(-c6c7ccccc7c(-c7cccc8c7oc7ccccc78)c7ccccc67)cccc5c4c23)cc1
InChIInChI=1S/C50H28O3/c1-2-13-29(14-3-1)30-20-10-24-39-46-42(52-48(30)39)27-28-43-47(46)40-25-12-23-38(50(40)53-43)45-34-18-6-4-16-32(34)44(33-17-5-7-19-35(33)45)37-22-11-21-36-31-15-8-9-26-41(31)51-49(36)37/h1-28H
InChIKeyPBKMOYYDZBQFJS-UHFFFAOYSA-N
MW676.77 g/mol
LogP14.69
Rot. Bonds3

About 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

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 (PubChem CID 153314459) has the molecular formula C50H28O3 and a molecular weight of 676.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID153314459
Molecular FormulaC50H28O3
Molecular Weight676.77 g/mol
Exact Mass676.20
IUPAC Name7-(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
SMILESc1ccc(-c2cccc3c2oc2ccc4oc5c(-c6c7ccccc7c(-c7cccc8c7oc7ccccc78)c7ccccc67)cccc5c4c23)cc1
InChIInChI=1S/C50H28O3/c1-2-13-29(14-3-1)30-20-10-24-39-46-42(52-48(30)39)27-28-43-47(46)40-25-12-23-38(50(40)53-43)45-34-18-6-4-16-32(34)44(33-17-5-7-19-35(33)45)37-22-11-21-36-31-15-8-9-26-41(31)51-49(36)37/h1-28H
InChIKeyPBKMOYYDZBQFJS-UHFFFAOYSA-N
XLogP14.69
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.77
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1,6-diphenyldibenzofuran
CID 145331756
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130185376
4-[10-(2-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 167187249
8-[10-(2,6-diphenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 171447445
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176746040
7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314427
N-[4-(7-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170536120
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc3c2oc2ccc4oc5c(-c6c7ccccc7c(-c7cccc8c7oc7ccccc78)c7ccccc67)cccc5c4c23)cc1.
What is the InChIKey of 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?
The InChIKey is PBKMOYYDZBQFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28O3/c1-2-13-29(14-3-1)30-20-10-24-39-46-42(52-48(30)39)27-28-43-47(46)40-25-12-23-38(50(40)53-43)45-34-18-6-4-16-32(34)44(33-17-5-7-19-35(33)45)37-22-11-21-36-31-15-8-9-26-41(31)51-49(36)37/h1-28H.
What are the key properties of 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?
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 has a molecular weight of 676.77 g/mol, XLogP of 14.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153314459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).