5-[10-[2-(1-benzofuran-7-yl)phenyl]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

C46H26O3 — CID 170212467

IUPAC5-[10-[2-(1-benzofuran-7-yl)phenyl]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
SMILESc1ccc(-c2cccc3ccoc23)c(-c2c3ccccc3c(-c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)c3ccccc23)c1
InChIInChI=1S/C46H26O3/c1-2-12-30(29(11-1)35-18-9-10-27-24-25-47-46(27)35)43-33-15-5-3-13-31(33)42(32-14-4-6-16-34(32)43)28-20-21-39-37(26-28)45-41(49-39)23-22-40-44(45)36-17-7-8-19-38(36)48-40/h1-26H
InChIKeyDYNSRJPKWUPAGF-UHFFFAOYSA-N
MW626.71 g/mol
LogP13.54
Rot. Bonds3

About 5-[10-[2-(1-benzofuran-7-yl)phenyl]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

5-[10-[2-(1-benzofuran-7-yl)phenyl]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 (PubChem CID 170212467) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 5-[10-[2-(1-benzofuran-7-yl)phenyl]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.

Molecular Properties

Compound Name5-[10-[2-(1-benzofuran-7-yl)phenyl]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
PubChem CID170212467
Molecular FormulaC46H26O3
Molecular Weight626.71 g/mol
Exact Mass626.19
IUPAC Name5-[10-[2-(1-benzofuran-7-yl)phenyl]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
SMILESc1ccc(-c2cccc3ccoc23)c(-c2c3ccccc3c(-c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)c3ccccc23)c1
InChIInChI=1S/C46H26O3/c1-2-12-30(29(11-1)35-18-9-10-27-24-25-47-46(27)35)43-33-15-5-3-13-31(33)42(32-14-4-6-16-34(32)43)28-20-21-39-37(26-28)45-41(49-39)23-22-40-44(45)36-17-7-8-19-38(36)48-40/h1-26H
InChIKeyDYNSRJPKWUPAGF-UHFFFAOYSA-N
XLogP13.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[10-[2-(1-benzofuran-7-yl)phenyl]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 with MolForge

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Related Compounds

9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176744574
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
5-[10-(3-naphthalen-2-ylphenyl)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 122427327
5-(3-anthracen-9-ylphenyl)-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 176742390
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
9-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
7-[10-([1]benzofuro[3,2-e][1]benzofuran-8-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 174264120
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran
CID 176745582
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
CID 176744892

Frequently Asked Questions

What is the IUPAC name of 5-[10-[2-(1-benzofuran-7-yl)phenyl]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?
The IUPAC name of 5-[10-[2-(1-benzofuran-7-yl)phenyl]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 170212467) is 5-[10-[2-(1-benzofuran-7-yl)phenyl]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.
What is the SMILES notation for 5-[10-[2-(1-benzofuran-7-yl)phenyl]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?
The canonical SMILES for 5-[10-[2-(1-benzofuran-7-yl)phenyl]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 is c1ccc(-c2cccc3ccoc23)c(-c2c3ccccc3c(-c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)c3ccccc23)c1.
What is the InChIKey of 5-[10-[2-(1-benzofuran-7-yl)phenyl]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?
The InChIKey is DYNSRJPKWUPAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-12-30(29(11-1)35-18-9-10-27-24-25-47-46(27)35)43-33-15-5-3-13-31(33)42(32-14-4-6-16-34(32)43)28-20-21-39-37(26-28)45-41(49-39)23-22-40-44(45)36-17-7-8-19-38(36)48-40/h1-26H.
What are the key properties of 5-[10-[2-(1-benzofuran-7-yl)phenyl]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?
5-[10-[2-(1-benzofuran-7-yl)phenyl]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 has a molecular weight of 626.71 g/mol, XLogP of 13.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[2-(1-benzofuran-7-yl)phenyl]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 is sourced from PubChem (CID 170212467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).