2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline

C46H33N3 — CID 140898216

IUPAC2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
SMILESc1ccc(-c2ccnc(-c3cccc(N(c4cccc(-c5cc(-c6ccccc6)ccn5)c4)c4ccccc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H33N3/c1-4-14-34(15-5-1)37-26-28-47-44(32-37)39-20-12-22-41(30-39)49(46-25-11-10-24-43(46)36-18-8-3-9-19-36)42-23-13-21-40(31-42)45-33-38(27-29-48-45)35-16-6-2-7-17-35/h1-33H
InChIKeySIUZQJYMYRDXHA-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.28
Rot. Bonds8

About 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline

2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline (PubChem CID 140898216) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
PubChem CID140898216
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
SMILESc1ccc(-c2ccnc(-c3cccc(N(c4cccc(-c5cc(-c6ccccc6)ccn5)c4)c4ccccc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H33N3/c1-4-14-34(15-5-1)37-26-28-47-44(32-37)39-20-12-22-41(30-39)49(46-25-11-10-24-43(46)36-18-8-3-9-19-36)42-23-13-21-40(31-42)45-33-38(27-29-48-45)35-16-6-2-7-17-35/h1-33H
InChIKeySIUZQJYMYRDXHA-UHFFFAOYSA-N
XLogP12.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303
3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789132
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
CID 140908798
N-(3-isocyano-5-pyridin-2-ylphenyl)-3-phenyl-N-(2-phenylphenyl)-5-[4-(4-phenylphenyl)-2-pyridinyl]aniline
CID 140898214
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
The IUPAC name of 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline (CID 140898216) is 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline is c1ccc(-c2ccnc(-c3cccc(N(c4cccc(-c5cc(-c6ccccc6)ccn5)c4)c4ccccc4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
The InChIKey is SIUZQJYMYRDXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-4-14-34(15-5-1)37-26-28-47-44(32-37)39-20-12-22-41(30-39)49(46-25-11-10-24-43(46)36-18-8-3-9-19-36)42-23-13-21-40(31-42)45-33-38(27-29-48-45)35-16-6-2-7-17-35/h1-33H.
What are the key properties of 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline has a molecular weight of 627.79 g/mol, XLogP of 12.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 140898216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).