(Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane

C31H34N2O — CID 145258762

IUPAC(Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane
SMILESCCC.Cc1ccccc1-c1cccn1C.[H]/N=C/C=C\Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C16H13NO.C12H13N.C3H8/c17-11-4-3-6-12-7-5-9-14-13-8-1-2-10-15(13)18-16(12)14;1-10-6-3-4-7-11(10)12-8-5-9-13(12)2;1-3-2/h1-5,7-11,17H,6H2;3-9H,1-2H3;3H2,1-2H3/b4-3-,17-11+;;
InChIKeyCXGKJUMHQLCCHM-AOHXEFDNSA-N
MW450.63 g/mol
LogP8.75
Rot. Bonds4

About (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane

(Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane (PubChem CID 145258762) has the molecular formula C31H34N2O and a molecular weight of 450.63 g/mol. Its IUPAC name is (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane.

Molecular Properties

Compound Name(Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane
PubChem CID145258762
Molecular FormulaC31H34N2O
Molecular Weight450.63 g/mol
Exact Mass450.27
IUPAC Name(Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane
SMILESCCC.Cc1ccccc1-c1cccn1C.[H]/N=C/C=C\Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C16H13NO.C12H13N.C3H8/c17-11-4-3-6-12-7-5-9-14-13-8-1-2-10-15(13)18-16(12)14;1-10-6-3-4-7-11(10)12-8-5-9-13(12)2;1-3-2/h1-5,7-11,17H,6H2;3-9H,1-2H3;3H2,1-2H3/b4-3-,17-11+;;
InChIKeyCXGKJUMHQLCCHM-AOHXEFDNSA-N
XLogP8.75
TPSA41.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane with MolForge

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Related Compounds

ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran
CID 142201060
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CID 144857274
4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144661291
dibenzofuran-4-ylmethanamine
CID 82606963
(1Z,3Z)-N-methyl-5-(3-methyldibenzofuran-4-yl)penta-1,3-dien-1-amine
CID 145014028
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
4-ethylxanthen-9-one
CID 15075530
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601
4-methyldibenzofuran;(Z)-pent-3-en-2-imine
CID 145299521
2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
CID 175626911
3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene
CID 145108725
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072

Frequently Asked Questions

What is the IUPAC name of (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane?
The IUPAC name of (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane (CID 145258762) is (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane.
What is the SMILES notation for (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane?
The canonical SMILES for (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane is CCC.Cc1ccccc1-c1cccn1C.[H]/N=C/C=C\Cc1cccc2c1oc1ccccc12.
What is the InChIKey of (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane?
The InChIKey is CXGKJUMHQLCCHM-AOHXEFDNSA-N. The full InChI is InChI=1S/C16H13NO.C12H13N.C3H8/c17-11-4-3-6-12-7-5-9-14-13-8-1-2-10-15(13)18-16(12)14;1-10-6-3-4-7-11(10)12-8-5-9-13(12)2;1-3-2/h1-5,7-11,17H,6H2;3-9H,1-2H3;3H2,1-2H3/b4-3-,17-11+;;.
What are the key properties of (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane?
(Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane has a molecular weight of 450.63 g/mol, XLogP of 8.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dibenzofuran-4-ylbut-2-en-1-imine;1-methyl-2-(2-methylphenyl)pyrrole;propane is sourced from PubChem (CID 145258762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).