N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline

C38H28N2 — CID 162514714

IUPACN,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
SMILESC(#Cc1ccccc1N(c1ccccc1)c1ccccc1)c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H28N2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H
InChIKeySFHGAQTWUAAOPS-UHFFFAOYSA-N
MW512.66 g/mol
LogP10.03
Rot. Bonds6

About N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline

N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline (PubChem CID 162514714) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
PubChem CID162514714
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC NameN,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
SMILESC(#Cc1ccccc1N(c1ccccc1)c1ccccc1)c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H28N2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H
InChIKeySFHGAQTWUAAOPS-UHFFFAOYSA-N
XLogP10.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile
CID 156903762
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969
N,N-diphenylaniline;silane
CID 131739129
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 164772262
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
2-ethynyl-N,N-bis(2-ethynylphenyl)aniline
CID 87190952
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline?
The IUPAC name of N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline (CID 162514714) is N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline.
What is the SMILES notation for N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline?
The canonical SMILES for N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline is C(#Cc1ccccc1N(c1ccccc1)c1ccccc1)c1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline?
The InChIKey is SFHGAQTWUAAOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H.
What are the key properties of N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline?
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline has a molecular weight of 512.66 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline is sourced from PubChem (CID 162514714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).