2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C46H24O4 — CID 174264041

IUPAC2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc2c(c1)oc1cc3occ(-c4c5ccccc5c(-c5c6c(cc7oc8ccccc8c57)oc5ccccc56)c5ccccc45)c3cc12
InChIInChI=1S/C46H24O4/c1-3-14-28-26(12-1)42(34-24-47-38-22-39-32(21-33(34)38)25-11-5-8-18-35(25)48-39)27-13-2-4-15-29(27)43(28)46-44-30-16-6-9-19-36(30)49-40(44)23-41-45(46)31-17-7-10-20-37(31)50-41/h1-24H
InChIKeyAIRQYIIURCGNOI-UHFFFAOYSA-N
MW640.69 g/mol
LogP13.77
Rot. Bonds2

About 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 174264041) has the molecular formula C46H24O4 and a molecular weight of 640.69 g/mol. Its IUPAC name is 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID174264041
Molecular FormulaC46H24O4
Molecular Weight640.69 g/mol
Exact Mass640.17
IUPAC Name2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc2c(c1)oc1cc3occ(-c4c5ccccc5c(-c5c6c(cc7oc8ccccc8c57)oc5ccccc56)c5ccccc45)c3cc12
InChIInChI=1S/C46H24O4/c1-3-14-28-26(12-1)42(34-24-47-38-22-39-32(21-33(34)38)25-11-5-8-18-35(25)48-39)27-13-2-4-15-29(27)43(28)46-44-30-16-6-9-19-36(30)49-40(44)23-41-45(46)31-17-7-10-20-37(31)50-41/h1-24H
InChIKeyAIRQYIIURCGNOI-UHFFFAOYSA-N
XLogP13.77
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.69
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

3-[10-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-2-yl)anthracen-9-yl]-[1]benzothiolo[3,2-f][1]benzofuran
CID 176744623
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-[1]benzofuro[6,5-b][1]benzofuran
CID 176743254
2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
CID 176744803
4-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[3,2-f][1]benzofuran
CID 176744927
7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745557
10,14,16-trioxahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene
CID 176865658
1-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176744419
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744543
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
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 122415794

Frequently Asked Questions

What is the IUPAC name of 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 174264041) is 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc2c(c1)oc1cc3occ(-c4c5ccccc5c(-c5c6c(cc7oc8ccccc8c57)oc5ccccc56)c5ccccc45)c3cc12.
What is the InChIKey of 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is AIRQYIIURCGNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24O4/c1-3-14-28-26(12-1)42(34-24-47-38-22-39-32(21-33(34)38)25-11-5-8-18-35(25)48-39)27-13-2-4-15-29(27)43(28)46-44-30-16-6-9-19-36(30)49-40(44)23-41-45(46)31-17-7-10-20-37(31)50-41/h1-24H.
What are the key properties of 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 640.69 g/mol, XLogP of 13.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-([1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 174264041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).