4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline

C34H25N — CID 20801910

IUPAC4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
SMILESC(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H25N/c1-3-11-32(12-4-1)35(33-13-5-2-6-14-33)34-21-18-26(19-22-34)15-16-27-17-20-30-24-28-9-7-8-10-29(28)25-31(30)23-27/h1-25H/b16-15+
InChIKeyAVIWMRYBRAUIPG-FOCLMDBBSA-N
MW447.58 g/mol
LogP9.63
Rot. Bonds5

About 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline

4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline (PubChem CID 20801910) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
PubChem CID20801910
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
SMILESC(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H25N/c1-3-11-32(12-4-1)35(33-13-5-2-6-14-33)34-21-18-26(19-22-34)15-16-27-17-20-30-24-28-9-7-8-10-29(28)25-31(30)23-27/h1-25H/b16-15+
InChIKeyAVIWMRYBRAUIPG-FOCLMDBBSA-N
XLogP9.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(2-anthracen-2-ylethenyl)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142090420
4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 59923921
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
N-[4-[(Z)-2-[6-[(Z)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 59905387
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 59933553

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline (CID 20801910) is 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline is C(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline?
The InChIKey is AVIWMRYBRAUIPG-FOCLMDBBSA-N. The full InChI is InChI=1S/C34H25N/c1-3-11-32(12-4-1)35(33-13-5-2-6-14-33)34-21-18-26(19-22-34)15-16-27-17-20-30-24-28-9-7-8-10-29(28)25-31(30)23-27/h1-25H/b16-15+.
What are the key properties of 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline?
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline has a molecular weight of 447.58 g/mol, XLogP of 9.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 20801910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).