(2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile

C41H33N3 — CID 143685303

IUPAC(2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile
SMILESC=C/C(C#N)=C\C=C(/C)N(C)c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C41H33N3/c1-4-31(29-42)14-13-30(2)43(3)38-21-15-34(16-22-38)35-17-23-39(24-18-35)44(40-25-19-32-9-5-7-11-36(32)27-40)41-26-20-33-10-6-8-12-37(33)28-41/h4-28H,1H2,2-3H3/b30-13+,31-14+
InChIKeyGUZNZUCSDGVRLW-HNZHSOEWSA-N
MW567.74 g/mol
LogP11.11
Rot. Bonds8

About (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile

(2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile (PubChem CID 143685303) has the molecular formula C41H33N3 and a molecular weight of 567.74 g/mol. Its IUPAC name is (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile
PubChem CID143685303
Molecular FormulaC41H33N3
Molecular Weight567.74 g/mol
Exact Mass567.27
IUPAC Name(2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile
SMILESC=C/C(C#N)=C\C=C(/C)N(C)c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C41H33N3/c1-4-31(29-42)14-13-30(2)43(3)38-21-15-34(16-22-38)35-17-23-39(24-18-35)44(40-25-19-32-9-5-7-11-36(32)27-40)41-26-20-33-10-6-8-12-37(33)28-41/h4-28H,1H2,2-3H3/b30-13+,31-14+
InChIKeyGUZNZUCSDGVRLW-HNZHSOEWSA-N
XLogP11.11
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-methylamino]phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 143685408
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 143685031
N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline
CID 143684827
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene
CID 143268905
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile?
The IUPAC name of (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile (CID 143685303) is (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile is C=C/C(C#N)=C\C=C(/C)N(C)c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile?
The InChIKey is GUZNZUCSDGVRLW-HNZHSOEWSA-N. The full InChI is InChI=1S/C41H33N3/c1-4-31(29-42)14-13-30(2)43(3)38-21-15-34(16-22-38)35-17-23-39(24-18-35)44(40-25-19-32-9-5-7-11-36(32)27-40)41-26-20-33-10-6-8-12-37(33)28-41/h4-28H,1H2,2-3H3/b30-13+,31-14+.
What are the key properties of (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile?
(2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile has a molecular weight of 567.74 g/mol, XLogP of 11.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile is sourced from PubChem (CID 143685303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).