N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine

C23H21N — CID 145442455

IUPACN-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine
SMILESC=C/C=C(\C=C/C)c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H21N/c1-3-7-18(8-4-2)20-11-14-22(15-12-20)24-23-16-13-19-9-5-6-10-21(19)17-23/h3-17,24H,1H2,2H3/b8-4-,18-7+
InChIKeyYOLFDJLAAGEQMC-YAIWCUSNSA-N
MW311.43 g/mol
LogP6.73
Rot. Bonds5

About N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine

N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine (PubChem CID 145442455) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine
PubChem CID145442455
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine
SMILESC=C/C=C(\C=C/C)c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H21N/c1-3-7-18(8-4-2)20-11-14-22(15-12-20)24-23-16-13-19-9-5-6-10-21(19)17-23/h3-17,24H,1H2,2H3/b8-4-,18-7+
InChIKeyYOLFDJLAAGEQMC-YAIWCUSNSA-N
XLogP6.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine (CID 145442455) is N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine is C=C/C=C(\C=C/C)c1ccc(Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine?
The InChIKey is YOLFDJLAAGEQMC-YAIWCUSNSA-N. The full InChI is InChI=1S/C23H21N/c1-3-7-18(8-4-2)20-11-14-22(15-12-20)24-23-16-13-19-9-5-6-10-21(19)17-23/h3-17,24H,1H2,2H3/b8-4-,18-7+.
What are the key properties of N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine?
N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine has a molecular weight of 311.43 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 145442455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).