6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene

C52H30OS — CID 130190458

IUPAC6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccc5oc6ccc7ccccc7c6c5c34)c3ccccc23)c1
InChIInChI=1S/C52H30OS/c1-2-12-33-28-35(21-20-31(33)10-1)34-13-9-14-36(29-34)48-39-16-5-7-18-41(39)49(42-19-8-6-17-40(42)48)37-22-24-43-47(30-37)54-46-27-26-45-52(51(43)46)50-38-15-4-3-11-32(38)23-25-44(50)53-45/h1-30H
InChIKeyFMQUROSRGDESSX-UHFFFAOYSA-N
MW702.88 g/mol
LogP15.57
Rot. Bonds3

About 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene

6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene (PubChem CID 130190458) has the molecular formula C52H30OS and a molecular weight of 702.88 g/mol. Its IUPAC name is 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
PubChem CID130190458
Molecular FormulaC52H30OS
Molecular Weight702.88 g/mol
Exact Mass702.20
IUPAC Name6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccc5oc6ccc7ccccc7c6c5c34)c3ccccc23)c1
InChIInChI=1S/C52H30OS/c1-2-12-33-28-35(21-20-31(33)10-1)34-13-9-14-36(29-34)48-39-16-5-7-18-41(39)49(42-19-8-6-17-40(42)48)37-22-24-43-47(30-37)54-46-27-26-45-52(51(43)46)50-38-15-4-3-11-32(38)23-25-44(50)53-45/h1-30H
InChIKeyFMQUROSRGDESSX-UHFFFAOYSA-N
XLogP15.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.88
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190927
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 162089126
6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190593
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190455
6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426398
6-(10-naphthalen-2-ylanthracen-9-yl)-18-(10-phenylanthracen-9-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182796
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427490
9-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
CID 122425921
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,23-dithiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 130190960
18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
CID 130185790
19-[3-(10-phenylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 130190851

Frequently Asked Questions

What is the IUPAC name of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene (CID 130190458) is 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccc5oc6ccc7ccccc7c6c5c34)c3ccccc23)c1.
What is the InChIKey of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
The InChIKey is FMQUROSRGDESSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30OS/c1-2-12-33-28-35(21-20-31(33)10-1)34-13-9-14-36(29-34)48-39-16-5-7-18-41(39)49(42-19-8-6-17-40(42)48)37-22-24-43-47(30-37)54-46-27-26-45-52(51(43)46)50-38-15-4-3-11-32(38)23-25-44(50)53-45/h1-30H.
What are the key properties of 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene has a molecular weight of 702.88 g/mol, XLogP of 15.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 130190458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).