12-(10-dibenzofuran-2-ylanthracen-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

C44H24O3 — CID 122426682

IUPAC12-(10-dibenzofuran-2-ylanthracen-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
SMILESc1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5oc6ccccc6c45)c4ccccc34)cc12
InChIInChI=1S/C44H24O3/c1-3-14-29-27(12-1)40(25-21-22-38-33(23-25)26-11-5-8-18-35(26)45-38)28-13-2-4-15-30(28)41(29)34-24-39-43(32-17-7-9-19-36(32)46-39)44-42(34)31-16-6-10-20-37(31)47-44/h1-24H
InChIKeyYODGRSBHNMTRBI-UHFFFAOYSA-N
MW600.67 g/mol
LogP13.03
Rot. Bonds2

About 12-(10-dibenzofuran-2-ylanthracen-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

12-(10-dibenzofuran-2-ylanthracen-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 (PubChem CID 122426682) has the molecular formula C44H24O3 and a molecular weight of 600.67 g/mol. Its IUPAC name is 12-(10-dibenzofuran-2-ylanthracen-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.

Molecular Properties

Compound Name12-(10-dibenzofuran-2-ylanthracen-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
PubChem CID122426682
Molecular FormulaC44H24O3
Molecular Weight600.67 g/mol
Exact Mass600.17
IUPAC Name12-(10-dibenzofuran-2-ylanthracen-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
SMILESc1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5oc6ccccc6c45)c4ccccc34)cc12
InChIInChI=1S/C44H24O3/c1-3-14-29-27(12-1)40(25-21-22-38-33(23-25)26-11-5-8-18-35(26)45-38)28-13-2-4-15-30(28)41(29)34-24-39-43(32-17-7-9-19-36(32)46-39)44-42(34)31-16-6-10-20-37(31)47-44/h1-24H
InChIKeyYODGRSBHNMTRBI-UHFFFAOYSA-N
XLogP13.03
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.67
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 12-(10-dibenzofuran-2-ylanthracen-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
15-(10-naphthalen-2-ylanthracen-9-yl)-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130190089
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
12-[10-(2,3,4,5,6-pentadeuteriophenyl)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 129119405
16-[10-(4-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(19),15,17-nonaene
CID 122426254
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
1-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176744419
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
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
9-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185533
11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122425864

Frequently Asked Questions

What is the IUPAC name of 12-(10-dibenzofuran-2-ylanthracen-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?
The IUPAC name of 12-(10-dibenzofuran-2-ylanthracen-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 122426682) is 12-(10-dibenzofuran-2-ylanthracen-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.
What is the SMILES notation for 12-(10-dibenzofuran-2-ylanthracen-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?
The canonical SMILES for 12-(10-dibenzofuran-2-ylanthracen-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 is c1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4cc5oc6ccccc6c5c5oc6ccccc6c45)c4ccccc34)cc12.
What is the InChIKey of 12-(10-dibenzofuran-2-ylanthracen-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?
The InChIKey is YODGRSBHNMTRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24O3/c1-3-14-29-27(12-1)40(25-21-22-38-33(23-25)26-11-5-8-18-35(26)45-38)28-13-2-4-15-30(28)41(29)34-24-39-43(32-17-7-9-19-36(32)46-39)44-42(34)31-16-6-10-20-37(31)47-44/h1-24H.
What are the key properties of 12-(10-dibenzofuran-2-ylanthracen-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?
12-(10-dibenzofuran-2-ylanthracen-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 has a molecular weight of 600.67 g/mol, XLogP of 13.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(10-dibenzofuran-2-ylanthracen-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 is sourced from PubChem (CID 122426682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).