N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline

C41H30N2 — CID 140587043

IUPACN,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1
InChIInChI=1S/C41H30N2/c1-4-14-31(15-5-1)36-27-37(32-16-6-2-7-17-32)30-40(29-36)43(38-21-8-3-9-22-38)39-23-13-19-34(28-39)33-18-12-20-35(26-33)41-24-10-11-25-42-41/h1-30H
InChIKeyLVPODBHPAASVST-UHFFFAOYSA-N
MW550.71 g/mol
LogP11.22
Rot. Bonds7

About N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline

N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline (PubChem CID 140587043) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
PubChem CID140587043
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC NameN,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1
InChIInChI=1S/C41H30N2/c1-4-14-31(15-5-1)36-27-37(32-16-6-2-7-17-32)30-40(29-36)43(38-21-8-3-9-22-38)39-23-13-19-34(28-39)33-18-12-20-35(26-33)41-24-10-11-25-42-41/h1-30H
InChIKeyLVPODBHPAASVST-UHFFFAOYSA-N
XLogP11.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
CID 140758620
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline
CID 159605340
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
N-phenyl-3-pyrimidin-2-yl-N-(3-pyrimidin-2-ylphenyl)aniline
CID 157447989
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801

Frequently Asked Questions

What is the IUPAC name of N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline?
The IUPAC name of N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline (CID 140587043) is N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1.
What is the InChIKey of N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline?
The InChIKey is LVPODBHPAASVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-4-14-31(15-5-1)36-27-37(32-16-6-2-7-17-32)30-40(29-36)43(38-21-8-3-9-22-38)39-23-13-19-34(28-39)33-18-12-20-35(26-33)41-24-10-11-25-42-41/h1-30H.
What are the key properties of N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline?
N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline has a molecular weight of 550.71 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 140587043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).