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

C48H42N2 — CID 143848062

IUPACN-(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
SMILESC=Cc1ccc(N(c2ccc(C(/C=C\C)=C/C=C/N(/C=C/C=C\c3ccccc3C)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H42N2/c1-4-17-41(23-16-37-49(44-24-7-6-8-25-44)36-14-13-20-40-19-10-9-18-38(40)3)42-30-34-46(35-31-42)50(45-32-28-39(5-2)29-33-45)48-27-15-22-43-21-11-12-26-47(43)48/h4-37H,2H2,1,3H3/b17-4-,20-13-,36-14+,37-16+,41-23+
InChIKeyAHSNPXRFNFGRFN-XWLKFRDDSA-N
MW646.88 g/mol
LogP13.47
Rot. Bonds12

About 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

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 (PubChem CID 143848062) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID143848062
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC NameN-(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
SMILESC=Cc1ccc(N(c2ccc(C(/C=C\C)=C/C=C/N(/C=C/C=C\c3ccccc3C)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H42N2/c1-4-17-41(23-16-37-49(44-24-7-6-8-25-44)36-14-13-20-40-19-10-9-18-38(40)3)42-30-34-46(35-31-42)50(45-32-28-39(5-2)29-33-45)48-27-15-22-43-21-11-12-26-47(43)48/h4-37H,2H2,1,3H3/b17-4-,20-13-,36-14+,37-16+,41-23+
InChIKeyAHSNPXRFNFGRFN-XWLKFRDDSA-N
XLogP13.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724
N-(4-ethenylphenyl)-N-naphthalen-1-ylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaen-4-amine
CID 144754323
N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 176548656
4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 123948232
ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144918413
N-[4-[2-[4-[2,3-bis(ethenyl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 145407742
N-(2-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 89067942
N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89074731
N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine
CID 134321181
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
2-N,7-N-bis(4-ethenylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
CID 159874682
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(N(c2ccc(C(/C=C\C)=C/C=C/N(/C=C/C=C\c3ccccc3C)c3ccccc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is AHSNPXRFNFGRFN-XWLKFRDDSA-N. The full InChI is InChI=1S/C48H42N2/c1-4-17-41(23-16-37-49(44-24-7-6-8-25-44)36-14-13-20-40-19-10-9-18-38(40)3)42-30-34-46(35-31-42)50(45-32-28-39(5-2)29-33-45)48-27-15-22-43-21-11-12-26-47(43)48/h4-37H,2H2,1,3H3/b17-4-,20-13-,36-14+,37-16+,41-23+.
What are the key properties of 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?
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 has a molecular weight of 646.88 g/mol, XLogP of 13.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143848062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).