N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline

C46H36N2 — CID 14366512

IUPACN,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
SMILESC(=C/c1cccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H36N2/c1-5-16-41(17-6-1)47(42-18-7-2-8-19-42)45-32-28-37(29-33-45)24-26-39-14-13-15-40(36-39)27-25-38-30-34-46(35-31-38)48(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-36H/b26-24+,27-25+
InChIKeyJZCQUOLGRQVBLU-OWUYFMIJSA-N
MW616.81 g/mol
LogP12.97
Rot. Bonds10

About N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline

N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline (PubChem CID 14366512) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
PubChem CID14366512
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC NameN,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
SMILESC(=C/c1cccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H36N2/c1-5-16-41(17-6-1)47(42-18-7-2-8-19-42)45-32-28-37(29-33-45)24-26-39-14-13-15-40(36-39)27-25-38-30-34-46(35-31-38)48(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-36H/b26-24+,27-25+
InChIKeyJZCQUOLGRQVBLU-OWUYFMIJSA-N
XLogP12.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
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
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-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-[(E)-2-(3-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650304
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
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
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
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
3-chloro-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(3-chlorophenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900174
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline (CID 14366512) is N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline is C(=C/c1cccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
The InChIKey is JZCQUOLGRQVBLU-OWUYFMIJSA-N. The full InChI is InChI=1S/C46H36N2/c1-5-16-41(17-6-1)47(42-18-7-2-8-19-42)45-32-28-37(29-33-45)24-26-39-14-13-15-40(36-39)27-25-38-30-34-46(35-31-38)48(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-36H/b26-24+,27-25+.
What are the key properties of N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline?
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline has a molecular weight of 616.81 g/mol, XLogP of 12.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline is sourced from PubChem (CID 14366512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).