N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine

C23H21N — CID 129146030

IUPACN-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine
SMILESC/C=C\C(=C/C=C/Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H21N/c1-2-10-19(20-11-4-3-5-12-20)15-9-18-24-23-17-8-14-21-13-6-7-16-22(21)23/h2-18,24H,1H3/b10-2-,18-9+,19-15+
InChIKeyNDTMPDHFYOONNT-HIWSQBEMSA-N
MW311.43 g/mol
LogP6.43
Rot. Bonds5

About N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine

N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine (PubChem CID 129146030) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine
PubChem CID129146030
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine
SMILESC/C=C\C(=C/C=C/Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H21N/c1-2-10-19(20-11-4-3-5-12-20)15-9-18-24-23-17-8-14-21-13-6-7-16-22(21)23/h2-18,24H,1H3/b10-2-,18-9+,19-15+
InChIKeyNDTMPDHFYOONNT-HIWSQBEMSA-N
XLogP6.43
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 ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine
CID 137398702
4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol
CID 143230203
N-[(1E,3E,5Z)-6-(4-naphthalen-2-ylphenyl)-4-[4-[9-[(1Z,3Z)-penta-1,3-dienyl]phenanthren-4-yl]phenyl]hexa-1,3,5-trienyl]-4-phenylaniline
CID 153357579
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720
N-[4-(1-methylquinolin-1-ium-2-yl)buta-1,3-dienyl]naphthalen-1-amine
CID 5054950
cesium;methylazanide;N-naphthalen-1-ylformamide
CID 145326564
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
N-(4-ethenylphenyl)-N-[4-[(1E,3E,5Z)-1-(N-[(1E,3Z)-4-(2-methylphenyl)buta-1,3-dienyl]anilino)hepta-1,3,5-trien-4-yl]phenyl]naphthalen-1-amine
CID 143848062
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine?
The IUPAC name of N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine (CID 129146030) is N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine.
What is the SMILES notation for N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine?
The canonical SMILES for N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine is C/C=C\C(=C/C=C/Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine?
The InChIKey is NDTMPDHFYOONNT-HIWSQBEMSA-N. The full InChI is InChI=1S/C23H21N/c1-2-10-19(20-11-4-3-5-12-20)15-9-18-24-23-17-8-14-21-13-6-7-16-22(21)23/h2-18,24H,1H3/b10-2-,18-9+,19-15+.
What are the key properties of N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine?
N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine has a molecular weight of 311.43 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine is sourced from PubChem (CID 129146030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).