21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene

C48H26O2S — CID 163754827

IUPAC21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene
SMILESc1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)ccc12
InChIInChI=1S/C48H26O2S/c1-3-14-33-31(12-1)43(27-21-23-30-29-11-7-9-19-39(29)49-41(30)25-27)32-13-2-4-15-34(32)44(33)28-22-24-38-42(26-28)51-48-36-17-6-5-16-35(36)47-45(46(38)48)37-18-8-10-20-40(37)50-47/h1-26H
InChIKeyPAGLRLBQVMJWOJ-UHFFFAOYSA-N
MW666.80 g/mol
LogP14.65
Rot. Bonds2

About 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene

21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene (PubChem CID 163754827) has the molecular formula C48H26O2S and a molecular weight of 666.80 g/mol. Its IUPAC name is 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene.

Molecular Properties

Compound Name21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene
PubChem CID163754827
Molecular FormulaC48H26O2S
Molecular Weight666.80 g/mol
Exact Mass666.17
IUPAC Name21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene
SMILESc1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)ccc12
InChIInChI=1S/C48H26O2S/c1-3-14-33-31(12-1)43(27-21-23-30-29-11-7-9-19-39(29)49-41(30)25-27)32-13-2-4-15-34(32)44(33)28-22-24-38-42(26-28)51-48-36-17-6-5-16-35(36)47-45(46(38)48)37-18-8-10-20-40(37)50-47/h1-26H
InChIKeyPAGLRLBQVMJWOJ-UHFFFAOYSA-N
XLogP14.65
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.80
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene with MolForge

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Related Compounds

6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163470328
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
18-(10-dibenzofuran-2-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433540
17-[10-([1]benzothiolo[2,3-g][1]benzothiol-9-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 174266166
18-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118402724
18-(10-dibenzothiophen-4-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118503509
19-(10-dibenzofuran-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 163606299
6-(10-dibenzofuran-2-ylanthracen-9-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314424
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
17-(10-naphthalen-1-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122415718
18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185814
5-[10-(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-nonaen-6-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;6-[10-(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-nonaen-6-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 159714513

Frequently Asked Questions

What is the IUPAC name of 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene?
The IUPAC name of 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene (CID 163754827) is 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene.
What is the SMILES notation for 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene?
The canonical SMILES for 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene is c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)ccc12.
What is the InChIKey of 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene?
The InChIKey is PAGLRLBQVMJWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26O2S/c1-3-14-33-31(12-1)43(27-21-23-30-29-11-7-9-19-39(29)49-41(30)25-27)32-13-2-4-15-34(32)44(33)28-22-24-38-42(26-28)51-48-36-17-6-5-16-35(36)47-45(46(38)48)37-18-8-10-20-40(37)50-47/h1-26H.
What are the key properties of 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene?
21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene has a molecular weight of 666.80 g/mol, XLogP of 14.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(10-dibenzofuran-3-ylanthracen-9-yl)-9-oxa-18-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene is sourced from PubChem (CID 163754827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).