16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C58H32O2S — CID 130185933

IUPAC16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc(-c6cc7c8ccc9oc%10ccccc%10c9c8sc7c7ccccc67)ccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C58H32O2S/c1-2-12-34-29-36(22-21-33(34)11-1)54-41-14-4-6-16-43(41)55(44-17-7-5-15-42(44)54)37-24-26-40-39-25-23-35(30-52(39)60-53(40)31-37)48-32-49-46-27-28-51-56(47-19-9-10-20-50(47)59-51)58(46)61-57(49)45-18-8-3-13-38(45)48/h1-32H
InChIKeyWRGNIURYPGWWAF-UHFFFAOYSA-N
MW792.96 g/mol
LogP17.47
Rot. Bonds3

About 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 130185933) has the molecular formula C58H32O2S and a molecular weight of 792.96 g/mol. Its IUPAC name is 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID130185933
Molecular FormulaC58H32O2S
Molecular Weight792.96 g/mol
Exact Mass792.21
IUPAC Name16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc(-c6cc7c8ccc9oc%10ccccc%10c9c8sc7c7ccccc67)ccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C58H32O2S/c1-2-12-34-29-36(22-21-33(34)11-1)54-41-14-4-6-16-43(41)55(44-17-7-5-15-42(44)54)37-24-26-40-39-25-23-35(30-52(39)60-53(40)31-37)48-32-49-46-27-28-51-56(47-19-9-10-20-50(47)59-51)58(46)61-57(49)45-18-8-3-13-38(45)48/h1-32H
InChIKeyWRGNIURYPGWWAF-UHFFFAOYSA-N
XLogP17.47
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.96
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185466
19-(10-naphthalen-2-ylanthracen-9-yl)-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 163718640
19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-24-thiahexacyclo[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 130185708
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
CID 153472141
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
3-(3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-16-yl)-7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 130186562
16-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186309
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889

Frequently Asked Questions

What is the IUPAC name of 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 130185933) is 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc(-c6cc7c8ccc9oc%10ccccc%10c9c8sc7c7ccccc67)ccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is WRGNIURYPGWWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32O2S/c1-2-12-34-29-36(22-21-33(34)11-1)54-41-14-4-6-16-43(41)55(44-17-7-5-15-42(44)54)37-24-26-40-39-25-23-35(30-52(39)60-53(40)31-37)48-32-49-46-27-28-51-56(47-19-9-10-20-50(47)59-51)58(46)61-57(49)45-18-8-3-13-38(45)48/h1-32H.
What are the key properties of 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 792.96 g/mol, XLogP of 17.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-3-yl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130185933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).