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

C50H38N4 — CID 69478350

IUPACN,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
SMILESC(=Cc1ccnc(-c2cc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H38N4/c1-5-13-43(14-6-1)53(44-15-7-2-8-16-44)47-29-25-39(26-30-47)21-23-41-33-35-51-49(37-41)50-38-42(34-36-52-50)24-22-40-27-31-48(32-28-40)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-38H
InChIKeyKOLLFNBZBKRHTR-UHFFFAOYSA-N
MW694.88 g/mol
LogP13.42
Rot. Bonds11

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

N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline (PubChem CID 69478350) has the molecular formula C50H38N4 and a molecular weight of 694.88 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
PubChem CID69478350
Molecular FormulaC50H38N4
Molecular Weight694.88 g/mol
Exact Mass694.31
IUPAC NameN,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
SMILESC(=Cc1ccnc(-c2cc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H38N4/c1-5-13-43(14-6-1)53(44-15-7-2-8-16-44)47-29-25-39(26-30-47)21-23-41-33-35-51-49(37-41)50-38-42(34-36-52-50)24-22-40-27-31-48(32-28-40)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-38H
InChIKeyKOLLFNBZBKRHTR-UHFFFAOYSA-N
XLogP13.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline
CID 140822198
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
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
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
4-[(E)-2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 156734947
6-chloro-2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-3H-quinazolin-4-one
CID 175375456

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline (CID 69478350) is N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline is C(=Cc1ccnc(-c2cc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccn2)c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
The InChIKey is KOLLFNBZBKRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4/c1-5-13-43(14-6-1)53(44-15-7-2-8-16-44)47-29-25-39(26-30-47)21-23-41-33-35-51-49(37-41)50-38-42(34-36-52-50)24-22-40-27-31-48(32-28-40)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-38H.
What are the key properties of N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline has a molecular weight of 694.88 g/mol, XLogP of 13.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline is sourced from PubChem (CID 69478350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).