2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran

C62H34O4 — CID 143933892

IUPAC2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(-c5ccc6oc7ccccc7c6c5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc5c(-c5ccc6oc7ccccc7c6c5)c4c3)cc12
InChIInChI=1S/C62H34O4/c1-5-13-53-41(9-1)47-29-37(19-25-57(47)63-53)35-17-23-45-51(31-35)61(39-21-27-59-49(33-39)43-11-3-7-15-55(43)65-59)46-24-18-36(38-20-26-58-48(30-38)42-10-2-6-14-54(42)64-58)32-52(46)62(45)40-22-28-60-50(34-40)44-12-4-8-16-56(44)66-60/h1-34H
InChIKeyHWHKXVRGXHHRID-UHFFFAOYSA-N
MW842.95 g/mol
LogP18.26
Rot. Bonds4

About 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran

2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 143933892) has the molecular formula C62H34O4 and a molecular weight of 842.95 g/mol. Its IUPAC name is 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID143933892
Molecular FormulaC62H34O4
Molecular Weight842.95 g/mol
Exact Mass842.25
IUPAC Name2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(-c5ccc6oc7ccccc7c6c5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc5c(-c5ccc6oc7ccccc7c6c5)c4c3)cc12
InChIInChI=1S/C62H34O4/c1-5-13-53-41(9-1)47-29-37(19-25-57(47)63-53)35-17-23-45-51(31-35)61(39-21-27-59-49(33-39)43-11-3-7-15-55(43)65-59)46-24-18-36(38-20-26-58-48(30-38)42-10-2-6-14-54(42)64-58)32-52(46)62(45)40-22-28-60-50(34-40)44-12-4-8-16-56(44)66-60/h1-34H
InChIKeyHWHKXVRGXHHRID-UHFFFAOYSA-N
XLogP18.26
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.95
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[2,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 170653989
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 58323704
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568993
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687

Frequently Asked Questions

What is the IUPAC name of 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran (CID 143933892) is 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran is c1ccc2c(c1)oc1ccc(-c3ccc4c(-c5ccc6oc7ccccc7c6c5)c5cc(-c6ccc7oc8ccccc8c7c6)ccc5c(-c5ccc6oc7ccccc7c6c5)c4c3)cc12.
What is the InChIKey of 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is HWHKXVRGXHHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34O4/c1-5-13-53-41(9-1)47-29-37(19-25-57(47)63-53)35-17-23-45-51(31-35)61(39-21-27-59-49(33-39)43-11-3-7-15-55(43)65-59)46-24-18-36(38-20-26-58-48(30-38)42-10-2-6-14-54(42)64-58)32-52(46)62(45)40-22-28-60-50(34-40)44-12-4-8-16-56(44)66-60/h1-34H.
What are the key properties of 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran?
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 842.95 g/mol, XLogP of 18.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 143933892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).