ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline

C25H31N — CID 145407854

IUPACethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline
SMILESC=C/C(C)=C(\C=C/C)C(=C\C)/Nc1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C23H25N.C2H6/c1-5-11-22(18(4)6-2)23(7-3)24-21-16-14-20(15-17-21)19-12-9-8-10-13-19;1-2/h5-17,24H,2H2,1,3-4H3;1-2H3/b11-5-,22-18+,23-7+;
InChIKeyIFSLCAJCAIHRIB-RFAJZKRASA-N
MW345.53 g/mol
LogP7.77
Rot. Bonds6

About ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline

ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline (PubChem CID 145407854) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline.

Molecular Properties

Compound Nameethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline
PubChem CID145407854
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Nameethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline
SMILESC=C/C(C)=C(\C=C/C)C(=C\C)/Nc1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C23H25N.C2H6/c1-5-11-22(18(4)6-2)23(7-3)24-21-16-14-20(15-17-21)19-12-9-8-10-13-19;1-2/h5-17,24H,2H2,1,3-4H3;1-2H3/b11-5-,22-18+,23-7+;
InChIKeyIFSLCAJCAIHRIB-RFAJZKRASA-N
XLogP7.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
CID 144591931
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]aniline
CID 171844731
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylaniline;(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 143811434
N-(4-phenylphenyl)acetamide
CID 19998
2-(1-anilinoethylidene)pent-3-enoic acid
CID 141217041
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
(3Z,5Z)-4-N-[4-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)phenyl]-3-N-phenylhepta-1,3,5-triene-3,4-diamine
CID 145444791
N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline
CID 174040434
ethane;N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 143322906
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline
CID 142541124
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline?
The IUPAC name of ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline (CID 145407854) is ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline.
What is the SMILES notation for ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline?
The canonical SMILES for ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline is C=C/C(C)=C(\C=C/C)C(=C\C)/Nc1ccc(-c2ccccc2)cc1.CC.
What is the InChIKey of ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline?
The InChIKey is IFSLCAJCAIHRIB-RFAJZKRASA-N. The full InChI is InChI=1S/C23H25N.C2H6/c1-5-11-22(18(4)6-2)23(7-3)24-21-16-14-20(15-17-21)19-12-9-8-10-13-19;1-2/h5-17,24H,2H2,1,3-4H3;1-2H3/b11-5-,22-18+,23-7+;.
What are the key properties of ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline?
ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline has a molecular weight of 345.53 g/mol, XLogP of 7.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline is sourced from PubChem (CID 145407854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).