9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C56H32OS — CID 130185736

IUPAC9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6sc7cc8oc9ccccc9c8cc7c6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C56H32OS/c1-2-16-34-33(14-1)15-13-26-40(34)54-42-22-7-9-24-44(42)55(45-25-10-8-23-43(45)54)46-29-28-38(35-17-3-4-18-36(35)46)47-31-53-56(41-21-6-5-19-37(41)47)49-30-48-39-20-11-12-27-50(39)57-51(48)32-52(49)58-53/h1-32H
InChIKeyAEUWIPMHHXECFJ-UHFFFAOYSA-N
MW752.94 g/mol
LogP16.72
Rot. Bonds3

About 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 130185736) has the molecular formula C56H32OS and a molecular weight of 752.94 g/mol. Its IUPAC name is 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID130185736
Molecular FormulaC56H32OS
Molecular Weight752.94 g/mol
Exact Mass752.22
IUPAC Name9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6sc7cc8oc9ccccc9c8cc7c6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C56H32OS/c1-2-16-34-33(14-1)15-13-26-40(34)54-42-22-7-9-24-44(42)55(45-25-10-8-23-43(45)54)46-29-28-38(35-17-3-4-18-36(35)46)47-31-53-56(41-21-6-5-19-37(41)47)49-30-48-39-20-11-12-27-50(39)57-51(48)32-52(49)58-53/h1-32H
InChIKeyAEUWIPMHHXECFJ-UHFFFAOYSA-N
XLogP16.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.94
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185643
9-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185660
20-(10-naphthalen-1-ylanthracen-9-yl)-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190396
3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055
3-(10-naphthalen-1-ylanthracen-9-yl)-7-naphtho[2,1-b][1]benzothiol-5-yldibenzofuran
CID 122426185
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 163727262
7-[4-(10-naphthalen-1-ylanthracen-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 122415800
3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155335093
9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130186377
9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185908
7-(10-naphthalen-1-ylanthracen-9-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 122425860
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-22-oxa-12-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130185771

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 130185736) is 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6sc7cc8oc9ccccc9c8cc7c6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is AEUWIPMHHXECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32OS/c1-2-16-34-33(14-1)15-13-26-40(34)54-42-22-7-9-24-44(42)55(45-25-10-8-23-43(45)54)46-29-28-38(35-17-3-4-18-36(35)46)47-31-53-56(41-21-6-5-19-37(41)47)49-30-48-39-20-11-12-27-50(39)57-51(48)32-52(49)58-53/h1-32H.
What are the key properties of 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 752.94 g/mol, XLogP of 16.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 130185736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).