2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

C38H29N — CID 59705560

IUPAC2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESC(=C/c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C38H29N/c1-4-13-30(14-5-1)23-24-34-19-10-11-22-38(34)39(36-27-25-33(26-28-36)31-15-6-2-7-16-31)37-21-12-20-35(29-37)32-17-8-3-9-18-32/h1-29H/b24-23+
InChIKeyKWXKTBWCJAFKSF-WCWDXBQESA-N
MW499.66 g/mol
LogP10.66
Rot. Bonds7

About 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 59705560) has the molecular formula C38H29N and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID59705560
Molecular FormulaC38H29N
Molecular Weight499.66 g/mol
Exact Mass499.23
IUPAC Name2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESC(=C/c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C38H29N/c1-4-13-30(14-5-1)23-24-34-19-10-11-22-38(34)39(36-27-25-33(26-28-36)31-15-6-2-7-16-31)37-21-12-20-35(29-37)32-17-8-3-9-18-32/h1-29H/b24-23+
InChIKeyKWXKTBWCJAFKSF-WCWDXBQESA-N
XLogP10.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 510.66
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-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705601
2-phenyl-N-[3-[(E)-2-phenylethenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705594
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
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
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,2-diphenyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59705555

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 59705560) is 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is C(=C/c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is KWXKTBWCJAFKSF-WCWDXBQESA-N. The full InChI is InChI=1S/C38H29N/c1-4-13-30(14-5-1)23-24-34-19-10-11-22-38(34)39(36-27-25-33(26-28-36)31-15-6-2-7-16-31)37-21-12-20-35(29-37)32-17-8-3-9-18-32/h1-29H/b24-23+.
What are the key properties of 2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 499.66 g/mol, XLogP of 10.66, 7 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-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 59705560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).