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

C50H38N4 — CID 139326960

IUPACN,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3cccc(N(c4ccccc4)c4ccccc4)c3)ccn2)c1)\c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C50H38N4/c1-5-17-43(18-6-1)53(44-19-7-2-8-20-44)47-25-13-15-39(35-47)27-29-41-31-33-51-49(37-41)50-38-42(32-34-52-50)30-28-40-16-14-26-48(36-40)54(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-38H/b29-27+,30-28+
InChIKeyNWLJISBEVFMWPA-QAVVBOBSSA-N
MW694.88 g/mol
LogP13.42
Rot. Bonds11

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

N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline (PubChem CID 139326960) has the molecular formula C50H38N4 and a molecular weight of 694.88 g/mol. Its IUPAC name is N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
PubChem CID139326960
Molecular FormulaC50H38N4
Molecular Weight694.88 g/mol
Exact Mass694.31
IUPAC NameN,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3cccc(N(c4ccccc4)c4ccccc4)c3)ccn2)c1)\c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C50H38N4/c1-5-17-43(18-6-1)53(44-19-7-2-8-20-44)47-25-13-15-39(35-47)27-29-41-31-33-51-49(37-41)50-38-42(32-34-52-50)30-28-40-16-14-26-48(36-40)54(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-38H/b29-27+,30-28+
InChIKeyNWLJISBEVFMWPA-QAVVBOBSSA-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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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
The IUPAC name of N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline (CID 139326960) is N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline is C(=C/c1ccnc(-c2cc(/C=C/c3cccc(N(c4ccccc4)c4ccccc4)c3)ccn2)c1)\c1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
The InChIKey is NWLJISBEVFMWPA-QAVVBOBSSA-N. The full InChI is InChI=1S/C50H38N4/c1-5-17-43(18-6-1)53(44-19-7-2-8-20-44)47-25-13-15-39(35-47)27-29-41-31-33-51-49(37-41)50-38-42(32-34-52-50)30-28-40-16-14-26-48(36-40)54(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-38H/b29-27+,30-28+.
What are the key properties of N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline?
N,N-diphenyl-3-[(E)-2-[2-[4-[(E)-2-[3-(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-3-[(E)-2-[2-[4-[(E)-2-[3-(N-phenylanilino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]aniline is sourced from PubChem (CID 139326960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).