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

C46H26OS — CID 163718640

IUPAC19-(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
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6c(ccc7ccc8oc9ccccc9c8c76)c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C46H26OS/c1-2-10-29-25-30(18-17-27(29)9-1)42-32-11-3-5-13-34(32)43(35-14-6-4-12-33(35)42)31-21-24-41-38(26-31)36-22-19-28-20-23-40-45(44(28)46(36)48-41)37-15-7-8-16-39(37)47-40/h1-26H
InChIKeyHBSWETPQHCMOAX-UHFFFAOYSA-N
MW626.78 g/mol
LogP13.90
Rot. Bonds2

About 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

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 (PubChem CID 163718640) has the molecular formula C46H26OS and a molecular weight of 626.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name19-(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
PubChem CID163718640
Molecular FormulaC46H26OS
Molecular Weight626.78 g/mol
Exact Mass626.17
IUPAC Name19-(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
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6c(ccc7ccc8oc9ccccc9c8c76)c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C46H26OS/c1-2-10-29-25-30(18-17-27(29)9-1)42-32-11-3-5-13-34(32)43(35-14-6-4-12-33(35)42)31-21-24-41-38(26-31)36-22-19-28-20-23-40-45(44(28)46(36)48-41)37-15-7-8-16-39(37)47-40/h1-26H
InChIKeyHBSWETPQHCMOAX-UHFFFAOYSA-N
XLogP13.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.78
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran
CID 176745251
19-[3-(10-phenylanthracen-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 130185637
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[5,4-b][1]benzofuran
CID 176743747
5-[10-(3-naphthalen-2-ylphenyl)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 122427327
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
4-(10-naphthalen-2-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264880
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
19-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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(21),17,19,23-undecaene
CID 130190907
20-[7-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-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 130185927
19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[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 130212993

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6c(ccc7ccc8oc9ccccc9c8c76)c5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is HBSWETPQHCMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26OS/c1-2-10-29-25-30(18-17-27(29)9-1)42-32-11-3-5-13-34(32)43(35-14-6-4-12-33(35)42)31-21-24-41-38(26-31)36-22-19-28-20-23-40-45(44(28)46(36)48-41)37-15-7-8-16-39(37)47-40/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 626.78 g/mol, XLogP of 13.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163718640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).