5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene

C56H36OS — CID 130213828

IUPAC5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
SMILESC=C(CC1C(=C)Sc2c1ccc1ccc3c4ccccc4oc3c21)c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C56H36OS/c1-33(30-50-34(2)58-56-49(50)29-27-36-26-28-48-42-15-9-10-21-51(42)57-55(48)53(36)56)37-22-23-39-32-40(25-24-38(39)31-37)52-44-16-5-7-18-46(44)54(47-19-8-6-17-45(47)52)43-20-11-13-35-12-3-4-14-41(35)43/h3-29,31-32,50H,1-2,30H2
InChIKeyYSMOTQMHICXTLF-UHFFFAOYSA-N
MW756.97 g/mol
LogP16.49
Rot. Bonds5

About 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene

5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene (PubChem CID 130213828) has the molecular formula C56H36OS and a molecular weight of 756.97 g/mol. Its IUPAC name is 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene.

Molecular Properties

Compound Name5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
PubChem CID130213828
Molecular FormulaC56H36OS
Molecular Weight756.97 g/mol
Exact Mass756.25
IUPAC Name5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
SMILESC=C(CC1C(=C)Sc2c1ccc1ccc3c4ccccc4oc3c21)c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C56H36OS/c1-33(30-50-34(2)58-56-49(50)29-27-36-26-28-48-42-15-9-10-21-51(42)57-55(48)53(36)56)37-22-23-39-32-40(25-24-38(39)31-37)52-44-16-5-7-18-46(44)54(47-19-8-6-17-45(47)52)43-20-11-13-35-12-3-4-14-41(35)43/h3-29,31-32,50H,1-2,30H2
InChIKeyYSMOTQMHICXTLF-UHFFFAOYSA-N
XLogP16.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.97
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene with MolForge

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Related Compounds

4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
CID 88910899
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
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
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185438
23,23-dimethyl-20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
CID 130211951
4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 59413106
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427142
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-23-oxahexacyclo[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 130211750

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
The IUPAC name of 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene (CID 130213828) is 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene.
What is the SMILES notation for 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
The canonical SMILES for 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene is C=C(CC1C(=C)Sc2c1ccc1ccc3c4ccccc4oc3c21)c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
The InChIKey is YSMOTQMHICXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36OS/c1-33(30-50-34(2)58-56-49(50)29-27-36-26-28-48-42-15-9-10-21-51(42)57-55(48)53(36)56)37-22-23-39-32-40(25-24-38(39)31-37)52-44-16-5-7-18-46(44)54(47-19-8-6-17-45(47)52)43-20-11-13-35-12-3-4-14-41(35)43/h3-29,31-32,50H,1-2,30H2.
What are the key properties of 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene has a molecular weight of 756.97 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-6-[2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]prop-2-enyl]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene is sourced from PubChem (CID 130213828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).