4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline

C51H39N3 — CID 140822198

IUPAC4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)c1)\c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C51H39N3/c1-5-13-43(14-6-1)51(44-15-7-2-8-16-44)45-29-25-39(26-30-45)21-23-41-33-35-52-49(37-41)50-38-42(34-36-53-50)24-22-40-27-31-48(32-28-40)54(46-17-9-3-10-18-46)47-19-11-4-12-20-47/h1-38,51H/b23-21+,24-22+
InChIKeyINVCHFSXJBVYTD-MBALSZOMSA-N
MW693.89 g/mol
LogP13.13
Rot. Bonds11

About 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline

4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline (PubChem CID 140822198) has the molecular formula C51H39N3 and a molecular weight of 693.89 g/mol. Its IUPAC name is 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline
PubChem CID140822198
Molecular FormulaC51H39N3
Molecular Weight693.89 g/mol
Exact Mass693.31
IUPAC Name4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)c1)\c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C51H39N3/c1-5-13-43(14-6-1)51(44-15-7-2-8-16-44)45-29-25-39(26-30-45)21-23-41-33-35-52-49(37-41)50-38-42(34-36-53-50)24-22-40-27-31-48(32-28-40)54(46-17-9-3-10-18-46)47-19-11-4-12-20-47/h1-38,51H/b23-21+,24-22+
InChIKeyINVCHFSXJBVYTD-MBALSZOMSA-N
XLogP13.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
CID 69478350
N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
CID 139326960
4-[(E)-2-[2-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 135225812
2-[4-[(E)-2-[4-[4-(N-phenylanilino)phenoxy]phenyl]ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 89375182
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
CID 101360915
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
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline
CID 118505157
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
1-benzhydryl-4-(2-phenylethenyl)benzene
CID 90954362

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline (CID 140822198) is 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline is C(=C/c1ccnc(-c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)c1)\c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline?
The InChIKey is INVCHFSXJBVYTD-MBALSZOMSA-N. The full InChI is InChI=1S/C51H39N3/c1-5-13-43(14-6-1)51(44-15-7-2-8-16-44)45-29-25-39(26-30-45)21-23-41-33-35-52-49(37-41)50-38-42(34-36-53-50)24-22-40-27-31-48(32-28-40)54(46-17-9-3-10-18-46)47-19-11-4-12-20-47/h1-38,51H/b23-21+,24-22+.
What are the key properties of 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline?
4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 693.89 g/mol, XLogP of 13.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 140822198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).