10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C24H15IO2 — CID 154473160

IUPAC10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ccc(-c4cccc5c6c(oc45)I=CC=C6)cc3c2c1
InChIInChI=1S/C24H15IO2/c1-14-7-9-21-19(12-14)20-13-15(8-10-22(20)26-21)16-4-2-5-17-18-6-3-11-25-24(18)27-23(16)17/h2-13H,1H3
InChIKeyVVPXCKNJGQDGIW-UHFFFAOYSA-N
MW462.29 g/mol
LogP7.28
Rot. Bonds1

About 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 154473160) has the molecular formula C24H15IO2 and a molecular weight of 462.29 g/mol. Its IUPAC name is 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID154473160
Molecular FormulaC24H15IO2
Molecular Weight462.29 g/mol
Exact Mass462.01
IUPAC Name10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ccc(-c4cccc5c6c(oc45)I=CC=C6)cc3c2c1
InChIInChI=1S/C24H15IO2/c1-14-7-9-21-19(12-14)20-13-15(8-10-22(20)26-21)16-4-2-5-17-18-6-3-11-25-24(18)27-23(16)17/h2-13H,1H3
InChIKeyVVPXCKNJGQDGIW-UHFFFAOYSA-N
XLogP7.28
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.29
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

12-(6-methyldibenzofuran-4-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 154473158
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161457454
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-(6,7-dimethyl-6,7-dihydrodibenzofuran-4-yl)-6-methyldibenzofuran
CID 163479669
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855

Frequently Asked Questions

What is the IUPAC name of 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 154473160) is 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc2oc3ccc(-c4cccc5c6c(oc45)I=CC=C6)cc3c2c1.
What is the InChIKey of 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is VVPXCKNJGQDGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15IO2/c1-14-7-9-21-19(12-14)20-13-15(8-10-22(20)26-21)16-4-2-5-17-18-6-3-11-25-24(18)27-23(16)17/h2-13H,1H3.
What are the key properties of 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 462.29 g/mol, XLogP of 7.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-methyldibenzofuran-2-yl)-6λ3-ioda-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 154473160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).