18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

C46H26O2 — CID 130213555

IUPAC18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESc1ccc2c(-c3ccc(-c4ccc5oc6cc7c(ccc8oc9ccccc9c87)cc6c5c4)c4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C46H26O2/c1-3-11-32-27(9-1)23-28-10-2-4-12-33(28)45(32)36-20-19-31(34-13-5-6-14-35(34)36)29-17-21-42-39(24-29)40-25-30-18-22-43-46(38(30)26-44(40)48-42)37-15-7-8-16-41(37)47-43/h1-26H
InChIKeyCNYSZNDICUZPPU-UHFFFAOYSA-N
MW610.71 g/mol
LogP13.43
Rot. Bonds2

About 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (PubChem CID 130213555) has the molecular formula C46H26O2 and a molecular weight of 610.71 g/mol. Its IUPAC name is 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

Compound Name18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
PubChem CID130213555
Molecular FormulaC46H26O2
Molecular Weight610.71 g/mol
Exact Mass610.19
IUPAC Name18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESc1ccc2c(-c3ccc(-c4ccc5oc6cc7c(ccc8oc9ccccc9c87)cc6c5c4)c4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C46H26O2/c1-3-11-32-27(9-1)23-28-10-2-4-12-33(28)45(32)36-20-19-31(34-13-5-6-14-35(34)36)29-17-21-42-39(24-29)40-25-30-18-22-43-46(38(30)26-44(40)48-42)37-15-7-8-16-41(37)47-43/h1-26H
InChIKeyCNYSZNDICUZPPU-UHFFFAOYSA-N
XLogP13.43
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene with MolForge

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Related Compounds

20-(6-anthracen-9-ylpyren-1-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 155008989
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
anthra[2,1-b][1]benzofuran
CID 59403890
19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185465
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
9-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135252309
5-(4-phenanthren-9-ylnaphthalen-1-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 149025857
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
18-anthracen-9-yl-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 130212682
9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289

Frequently Asked Questions

What is the IUPAC name of 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The IUPAC name of 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (CID 130213555) is 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.
What is the SMILES notation for 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The canonical SMILES for 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is c1ccc2c(-c3ccc(-c4ccc5oc6cc7c(ccc8oc9ccccc9c87)cc6c5c4)c4ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The InChIKey is CNYSZNDICUZPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O2/c1-3-11-32-27(9-1)23-28-10-2-4-12-33(28)45(32)36-20-19-31(34-13-5-6-14-35(34)36)29-17-21-42-39(24-29)40-25-30-18-22-43-46(38(30)26-44(40)48-42)37-15-7-8-16-41(37)47-43/h1-26H.
What are the key properties of 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene has a molecular weight of 610.71 g/mol, XLogP of 13.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 130213555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).