6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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

C52H30OS — CID 130190479

IUPAC6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6sc7c8ccccc8ccc7c6c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30OS/c1-2-12-31(13-3-1)34-26-27-42(37-17-7-6-16-36(34)37)49-40-20-10-8-18-38(40)48(39-19-9-11-21-41(39)49)33-23-24-43-46(30-33)53-45-28-29-47-51(50(43)45)44-25-22-32-14-4-5-15-35(32)52(44)54-47/h1-30H
InChIKeyOQRXUSVVMLBACD-UHFFFAOYSA-N
MW702.88 g/mol
LogP15.57
Rot. Bonds3

About 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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

6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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 (PubChem CID 130190479) has the molecular formula C52H30OS and a molecular weight of 702.88 g/mol. Its IUPAC name is 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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.

Molecular Properties

Compound Name6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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
PubChem CID130190479
Molecular FormulaC52H30OS
Molecular Weight702.88 g/mol
Exact Mass702.20
IUPAC Name6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6sc7c8ccccc8ccc7c6c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30OS/c1-2-12-31(13-3-1)34-26-27-42(37-17-7-6-16-36(34)37)49-40-20-10-8-18-38(40)48(39-19-9-11-21-41(39)49)33-23-24-43-46(30-33)53-45-28-29-47-51(50(43)45)44-25-22-32-14-4-5-15-35(32)52(44)54-47/h1-30H
InChIKeyOQRXUSVVMLBACD-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-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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 with MolForge

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Related Compounds

9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
20-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-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 130190476
6-[10-(4-phenylnaphthalen-1-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 122415742
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dithiahexacyclo[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 130190943
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole
CID 122426121
9-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 156624949
3-naphtho[1,2-b][1]benzothiol-8-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167306835
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
9-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
CID 122425921
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
CID 163727264
18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-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 130185842

Frequently Asked Questions

What is the IUPAC name of 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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?
The IUPAC name of 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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 130190479) is 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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.
What is the SMILES notation for 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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?
The canonical SMILES for 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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 is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6sc7c8ccccc8ccc7c6c45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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?
The InChIKey is OQRXUSVVMLBACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30OS/c1-2-12-31(13-3-1)34-26-27-42(37-17-7-6-16-36(34)37)49-40-20-10-8-18-38(40)48(39-19-9-11-21-41(39)49)33-23-24-43-46(30-33)53-45-28-29-47-51(50(43)45)44-25-22-32-14-4-5-15-35(32)52(44)54-47/h1-30H.
What are the key properties of 6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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?
6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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 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-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-oxa-14-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 is sourced from PubChem (CID 130190479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).