(1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine

C23H23N3 — CID 145334870

IUPAC(1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine
SMILESC=C(Nc1cccc2ccccc12)c1ccccc1/C(N)=C(N)/C=C\C
InChIInChI=1S/C23H23N3/c1-3-9-21(24)23(25)20-14-7-6-12-18(20)16(2)26-22-15-8-11-17-10-4-5-13-19(17)22/h3-15,26H,2,24-25H2,1H3/b9-3-,23-21+
InChIKeyHOHYWXOMJAUDCH-SQCHOXKGSA-N
MW341.46 g/mol
LogP5.08
Rot. Bonds5

About (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine

(1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine (PubChem CID 145334870) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine
PubChem CID145334870
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name(1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine
SMILESC=C(Nc1cccc2ccccc12)c1ccccc1/C(N)=C(N)/C=C\C
InChIInChI=1S/C23H23N3/c1-3-9-21(24)23(25)20-14-7-6-12-18(20)16(2)26-22-15-8-11-17-10-4-5-13-19(17)22/h3-15,26H,2,24-25H2,1H3/b9-3-,23-21+
InChIKeyHOHYWXOMJAUDCH-SQCHOXKGSA-N
XLogP5.08
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
naphthalen-1-ylurea;hydrochloride
CID 141142203
N'-methyl-2-[[(3E)-penta-1,3-dien-2-yl]amino]benzenecarboximidamide
CID 89091558
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
2-penta-1,3-dien-2-ylphenol
CID 123148511
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2-carbamoylphenyl) N-naphthalen-1-ylcarbamate
CID 4121359
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine?
The IUPAC name of (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine (CID 145334870) is (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine?
The canonical SMILES for (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine is C=C(Nc1cccc2ccccc12)c1ccccc1/C(N)=C(N)/C=C\C.
What is the InChIKey of (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine?
The InChIKey is HOHYWXOMJAUDCH-SQCHOXKGSA-N. The full InChI is InChI=1S/C23H23N3/c1-3-9-21(24)23(25)20-14-7-6-12-18(20)16(2)26-22-15-8-11-17-10-4-5-13-19(17)22/h3-15,26H,2,24-25H2,1H3/b9-3-,23-21+.
What are the key properties of (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine?
(1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine has a molecular weight of 341.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine is sourced from PubChem (CID 145334870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).