1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline

C24H17NO — CID 154960405

IUPAC1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1
InChIInChI=1S/C24H17NO/c1-15(2)16-10-11-18-17(14-16)12-13-25-23(18)21-8-5-7-20-19-6-3-4-9-22(19)26-24(20)21/h3-14H,1H2,2H3
InChIKeyHNBFAOWFPOFENI-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.83
Rot. Bonds2

About 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline

1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline (PubChem CID 154960405) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
PubChem CID154960405
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1
InChIInChI=1S/C24H17NO/c1-15(2)16-10-11-18-17(14-16)12-13-25-23(18)21-8-5-7-20-19-6-3-4-9-22(19)26-24(20)21/h3-14H,1H2,2H3
InChIKeyHNBFAOWFPOFENI-UHFFFAOYSA-N
XLogP6.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
CID 89189228
8-tert-butyl-4-dibenzofuran-4-ylbenzo[f]isoquinoline
CID 118566739
1-(7-fluorodibenzofuran-4-yl)isoquinoline
CID 164797559
4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
CID 88910899
4-(6-tert-butyl-10-phenanthren-9-yl-2-prop-1-en-2-ylanthracen-9-yl)dibenzofuran
CID 88894497
2-prop-1-en-2-yldibenzofuran
CID 142504770
3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
CID 159945205
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046
16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
CID 140920425
2-dibenzofuran-4-ylpyridine
CID 59500175
4-anthracen-9-yldibenzofuran
CID 167187282

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
The IUPAC name of 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline (CID 154960405) is 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline.
What is the SMILES notation for 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
The canonical SMILES for 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline is C=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1.
What is the InChIKey of 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
The InChIKey is HNBFAOWFPOFENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-15(2)16-10-11-18-17(14-16)12-13-25-23(18)21-8-5-7-20-19-6-3-4-9-22(19)26-24(20)21/h3-14H,1H2,2H3.
What are the key properties of 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline has a molecular weight of 335.41 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline is sourced from PubChem (CID 154960405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).