2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran

C38H22O2 — CID 135208637

IUPAC2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc12
InChIInChI=1S/C38H22O2/c1-3-13-30-28(11-1)37(23-18-20-35-32(21-23)26-10-6-8-16-34(26)39-35)29-12-2-4-14-31(29)38(30)24-17-19-27-25-9-5-7-15-33(25)40-36(27)22-24/h1-22H
InChIKeyUEDYUZNCJXLZEZ-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

About 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran

2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran (PubChem CID 135208637) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
PubChem CID135208637
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc12
InChIInChI=1S/C38H22O2/c1-3-13-30-28(11-1)37(23-18-20-35-32(21-23)26-10-6-8-16-34(26)39-35)29-12-2-4-14-31(29)38(30)24-17-19-27-25-9-5-7-15-33(25)40-36(27)22-24/h1-22H
InChIKeyUEDYUZNCJXLZEZ-UHFFFAOYSA-N
XLogP11.13
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
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
5-[10-(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)anthracen-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;6-[10-(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)anthracen-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 159714513
7-(10-phenylanthracen-9-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 122425853
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-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
18-(10-dibenzofuran-2-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433540
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
6-(10-bromoanthracen-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 170654333
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
7-(10-dibenzofuran-2-ylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130190316

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran (CID 135208637) is 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran is c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc12.
What is the InChIKey of 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran?
The InChIKey is UEDYUZNCJXLZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-3-13-30-28(11-1)37(23-18-20-35-32(21-23)26-10-6-8-16-34(26)39-35)29-12-2-4-14-31(29)38(30)24-17-19-27-25-9-5-7-15-33(25)40-36(27)22-24/h1-22H.
What are the key properties of 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran?
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran has a molecular weight of 510.59 g/mol, XLogP of 11.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 135208637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).