ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine

C41H42N2O — CID 142288956

IUPACethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine
SMILESC=C/C=c1\c(=C/C)c(C=C)c(/C=C\C)n1-c1ccccc1.CC.CN(c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C20H21N.C19H15NO.C2H6/c1-5-12-19-17(7-3)18(8-4)20(13-6-2)21(19)16-14-10-9-11-15-16;1-20(14-8-3-2-4-9-14)17-12-7-11-16-15-10-5-6-13-18(15)21-19(16)17;1-2/h5-15H,1,4H2,2-3H3;2-13H,1H3;1-2H3/b13-6-,17-7-,19-12+;;
InChIKeyXLHDQFWAPHNYJJ-ASVPOWFSSA-N
MW578.80 g/mol
LogP10.30
Rot. Bonds6

About ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine

ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine (PubChem CID 142288956) has the molecular formula C41H42N2O and a molecular weight of 578.80 g/mol. Its IUPAC name is ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Nameethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine
PubChem CID142288956
Molecular FormulaC41H42N2O
Molecular Weight578.80 g/mol
Exact Mass578.33
IUPAC Nameethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine
SMILESC=C/C=c1\c(=C/C)c(C=C)c(/C=C\C)n1-c1ccccc1.CC.CN(c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C20H21N.C19H15NO.C2H6/c1-5-12-19-17(7-3)18(8-4)20(13-6-2)21(19)16-14-10-9-11-15-16;1-20(14-8-3-2-4-9-14)17-12-7-11-16-15-10-5-6-13-18(15)21-19(16)17;1-2/h5-15H,1,4H2,2-3H3;2-13H,1H3;1-2H3/b13-6-,17-7-,19-12+;;
InChIKeyXLHDQFWAPHNYJJ-ASVPOWFSSA-N
XLogP10.30
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
N-methyl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 169285523
N-ethyl-N-phenylnaphtho[1,2-b][1]benzofuran-4-amine
CID 126701340
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 131997540
N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527943
N-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170937889
N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine
CID 126631479
1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide
CID 134444480
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine
CID 90207080

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine?
The IUPAC name of ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine (CID 142288956) is ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine?
The canonical SMILES for ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine is C=C/C=c1\c(=C/C)c(C=C)c(/C=C\C)n1-c1ccccc1.CC.CN(c1ccccc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine?
The InChIKey is XLHDQFWAPHNYJJ-ASVPOWFSSA-N. The full InChI is InChI=1S/C20H21N.C19H15NO.C2H6/c1-5-12-19-17(7-3)18(8-4)20(13-6-2)21(19)16-14-10-9-11-15-16;1-20(14-8-3-2-4-9-14)17-12-7-11-16-15-10-5-6-13-18(15)21-19(16)17;1-2/h5-15H,1,4H2,2-3H3;2-13H,1H3;1-2H3/b13-6-,17-7-,19-12+;;.
What are the key properties of ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine?
ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine has a molecular weight of 578.80 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 142288956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).