2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C44H33N — CID 59705601

IUPAC2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC(=C/c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C44H33N/c1-4-12-34(13-5-1)20-21-41-18-10-11-19-44(41)45(42-30-26-39(27-31-42)36-16-8-3-9-17-36)43-32-28-40(29-33-43)38-24-22-37(23-25-38)35-14-6-2-7-15-35/h1-33H/b21-20+
InChIKeyMUQRYYDPFYPJHQ-QZQOTICOSA-N
MW575.76 g/mol
LogP12.33
Rot. Bonds8

About 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 59705601) has the molecular formula C44H33N and a molecular weight of 575.76 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID59705601
Molecular FormulaC44H33N
Molecular Weight575.76 g/mol
Exact Mass575.26
IUPAC Name2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC(=C/c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C44H33N/c1-4-12-34(13-5-1)20-21-41-18-10-11-19-44(41)45(42-30-26-39(27-31-42)36-16-8-3-9-17-36)43-32-28-40(29-33-43)38-24-22-37(23-25-38)35-14-6-2-7-15-35/h1-33H/b21-20+
InChIKeyMUQRYYDPFYPJHQ-QZQOTICOSA-N
XLogP12.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 59705560
2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline
CID 58876508
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
N,2-diphenyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59705555
2-phenyl-N-[3-[(E)-2-phenylethenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705594
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 163884704

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 59705601) is 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is C(=C/c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is MUQRYYDPFYPJHQ-QZQOTICOSA-N. The full InChI is InChI=1S/C44H33N/c1-4-12-34(13-5-1)20-21-41-18-10-11-19-44(41)45(42-30-26-39(27-31-42)36-16-8-3-9-17-36)43-32-28-40(29-33-43)38-24-22-37(23-25-38)35-14-6-2-7-15-35/h1-33H/b21-20+.
What are the key properties of 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 575.76 g/mol, XLogP of 12.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 59705601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).