N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline

C38H27N5 — CID 122435802

IUPACN-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccccn4)n3)cc2)c2ccc(-c3cccc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C38H27N5/c1-2-10-30(11-3-1)43(31-22-18-28(19-23-31)33-14-8-16-37(41-33)35-12-4-6-26-39-35)32-24-20-29(21-25-32)34-15-9-17-38(42-34)36-13-5-7-27-40-36/h1-27H
InChIKeyRGKGIHRNZIPVFQ-UHFFFAOYSA-N
MW553.67 g/mol
LogP9.40
Rot. Bonds7

About N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline

N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline (PubChem CID 122435802) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
PubChem CID122435802
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC NameN-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccccn4)n3)cc2)c2ccc(-c3cccc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C38H27N5/c1-2-10-30(11-3-1)43(31-22-18-28(19-23-31)33-14-8-16-37(41-33)35-12-4-6-26-39-35)32-24-20-29(21-25-32)34-15-9-17-38(42-34)36-13-5-7-27-40-36/h1-27H
InChIKeyRGKGIHRNZIPVFQ-UHFFFAOYSA-N
XLogP9.40
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 166714366
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
4-[13,26,31,44,49-pentakis[4-(N-phenylanilino)phenyl]-3,9,12,18,21,27,30,36,39,45,48,54-dodecazatridecacyclo[36.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.040,53.041,46.047,52]tetrapentaconta-1(54),2,4(17),5(10),6,8,11(16),12,14,18,20,22(35),23(28),24,26,29(34),30,32,36,38,40(53),41(46),42,44,47(52),48,50-heptacosaen-8-yl]-N,N-diphenylaniline
CID 101461953
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 102119694
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
CID 118122927
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
The IUPAC name of N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline (CID 122435802) is N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline is c1ccc(N(c2ccc(-c3cccc(-c4ccccn4)n3)cc2)c2ccc(-c3cccc(-c4ccccn4)n3)cc2)cc1.
What is the InChIKey of N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
The InChIKey is RGKGIHRNZIPVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-2-10-30(11-3-1)43(31-22-18-28(19-23-31)33-14-8-16-37(41-33)35-12-4-6-26-39-35)32-24-20-29(21-25-32)34-15-9-17-38(42-34)36-13-5-7-27-40-36/h1-27H.
What are the key properties of N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline has a molecular weight of 553.67 g/mol, XLogP of 9.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 122435802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).