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

C48H36N2O2 — CID 163652940

IUPAC1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1.CC(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1
InChIInChI=1S/C24H19NO.C24H17NO/c2*1-15(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/h3-15H,1-2H3;3-14H,1H2,2H3
InChIKeyINUAOPAOMWUXAE-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.76
Rot. Bonds4

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

1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline (PubChem CID 163652940) has the molecular formula C48H36N2O2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
PubChem CID163652940
Molecular FormulaC48H36N2O2
Molecular Weight672.83 g/mol
Exact Mass672.28
IUPAC Name1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1.CC(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1
InChIInChI=1S/C24H19NO.C24H17NO/c2*1-15(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/h3-15H,1-2H3;3-14H,1H2,2H3
InChIKeyINUAOPAOMWUXAE-UHFFFAOYSA-N
XLogP13.76
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
The IUPAC name of 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline (CID 163652940) is 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline.
What is the SMILES notation for 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
The canonical SMILES for 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline is C=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1.CC(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1.
What is the InChIKey of 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
The InChIKey is INUAOPAOMWUXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO.C24H17NO/c2*1-15(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/h3-15H,1-2H3;3-14H,1H2,2H3.
What are the key properties of 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline?
1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline has a molecular weight of 672.83 g/mol, XLogP of 13.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-6-propan-2-ylisoquinoline;1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline is sourced from PubChem (CID 163652940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).