N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline

C27H27N — CID 89229629

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
SMILESC=C/C=C\C=C(/C)N(c1ccc(-c2ccc(C)cc2)cc1)c1cccc(C)c1
InChIInChI=1S/C27H27N/c1-5-6-7-10-23(4)28(27-11-8-9-22(3)20-27)26-18-16-25(17-19-26)24-14-12-21(2)13-15-24/h5-20H,1H2,2-4H3/b7-6-,23-10+
InChIKeyOMOIDCBUTOCPNI-KUYWJJDUSA-N
MW365.52 g/mol
LogP7.75
Rot. Bonds6

About N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline (PubChem CID 89229629) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
PubChem CID89229629
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
SMILESC=C/C=C\C=C(/C)N(c1ccc(-c2ccc(C)cc2)cc1)c1cccc(C)c1
InChIInChI=1S/C27H27N/c1-5-6-7-10-23(4)28(27-11-8-9-22(3)20-27)26-18-16-25(17-19-26)24-14-12-21(2)13-15-24/h5-20H,1H2,2-4H3/b7-6-,23-10+
InChIKeyOMOIDCBUTOCPNI-KUYWJJDUSA-N
XLogP7.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
CID 88961504
4-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)phenyl]-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154980803
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-methyl-N-phenylaniline
CID 143789857
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-N,1-N,4-N,4-N-tetrakis(3-methylphenyl)-3-phenylbenzene-1,4-diamine
CID 89267306
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline
CID 89264612
N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
CID 172568637
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-iodoaniline
CID 170206355
1-N-[4-(N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]anilino)phenyl]-4-N-(3-methylphenyl)-1-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 139317859
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline
CID 144920579
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline (CID 89229629) is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline is C=C/C=C\C=C(/C)N(c1ccc(-c2ccc(C)cc2)cc1)c1cccc(C)c1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
The InChIKey is OMOIDCBUTOCPNI-KUYWJJDUSA-N. The full InChI is InChI=1S/C27H27N/c1-5-6-7-10-23(4)28(27-11-8-9-22(3)20-27)26-18-16-25(17-19-26)24-14-12-21(2)13-15-24/h5-20H,1H2,2-4H3/b7-6-,23-10+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline?
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline has a molecular weight of 365.52 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline is sourced from PubChem (CID 89229629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).