ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine

C26H27NO — CID 145027907

IUPACethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine
SMILESC/C=C(\C=C/Nc1cccc2c1oc1ccccc12)c1ccc(C)cc1.CC
InChIInChI=1S/C24H21NO.C2H6/c1-3-18(19-13-11-17(2)12-14-19)15-16-25-22-9-6-8-21-20-7-4-5-10-23(20)26-24(21)22;1-2/h3-16,25H,1-2H3;1-2H3/b16-15-,18-3+;
InChIKeyJZDQFLUKLWPLKM-FWOPVJJNSA-N
MW369.51 g/mol
LogP7.95
Rot. Bonds4

About ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine

ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine (PubChem CID 145027907) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine.

Molecular Properties

Compound Nameethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine
PubChem CID145027907
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Nameethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine
SMILESC/C=C(\C=C/Nc1cccc2c1oc1ccccc12)c1ccc(C)cc1.CC
InChIInChI=1S/C24H21NO.C2H6/c1-3-18(19-13-11-17(2)12-14-19)15-16-25-22-9-6-8-21-20-7-4-5-10-23(20)26-24(21)22;1-2/h3-16,25H,1-2H3;1-2H3/b16-15-,18-3+;
InChIKeyJZDQFLUKLWPLKM-FWOPVJJNSA-N
XLogP7.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]dibenzofuran-4-amine
CID 145027861
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]dibenzofuran-4-amine
CID 145212273
N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane
CID 142363351
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
(Z)-N-([1]benzofuro[3,2-b][1]benzofuran-1-yl)-N'-methyl-N'-propan-2-ylethene-1,2-diamine
CID 170113170
N-dibenzofuran-4-ylpropanamide
CID 138533625
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
N-(2-methylbutyl)dibenzofuran-4-amine
CID 167309390
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran
CID 142519053
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine?
The IUPAC name of ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine (CID 145027907) is ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine.
What is the SMILES notation for ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine?
The canonical SMILES for ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine is C/C=C(\C=C/Nc1cccc2c1oc1ccccc12)c1ccc(C)cc1.CC.
What is the InChIKey of ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine?
The InChIKey is JZDQFLUKLWPLKM-FWOPVJJNSA-N. The full InChI is InChI=1S/C24H21NO.C2H6/c1-3-18(19-13-11-17(2)12-14-19)15-16-25-22-9-6-8-21-20-7-4-5-10-23(20)26-24(21)22;1-2/h3-16,25H,1-2H3;1-2H3/b16-15-,18-3+;.
What are the key properties of ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine?
ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine has a molecular weight of 369.51 g/mol, XLogP of 7.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]dibenzofuran-4-amine is sourced from PubChem (CID 145027907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).