4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine

C42H30N6 — CID 159878535

IUPAC4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESC1=CC(c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)CC=C1c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C42H30N6/c1-5-21-43-35(9-1)39-25-33(26-40(47-39)36-10-2-6-22-44-36)31-17-13-29(14-18-31)30-15-19-32(20-16-30)34-27-41(37-11-3-7-23-45-37)48-42(28-34)38-12-4-8-24-46-38/h1-15,17-28,30H,16H2
InChIKeyNTFOXRAMTFCWAJ-UHFFFAOYSA-N
MW618.74 g/mol
LogP9.52
Rot. Bonds7

About 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 159878535) has the molecular formula C42H30N6 and a molecular weight of 618.74 g/mol. Its IUPAC name is 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID159878535
Molecular FormulaC42H30N6
Molecular Weight618.74 g/mol
Exact Mass618.25
IUPAC Name4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESC1=CC(c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)CC=C1c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C42H30N6/c1-5-21-43-35(9-1)39-25-33(26-40(47-39)36-10-2-6-22-44-36)31-17-13-29(14-18-31)30-15-19-32(20-16-30)34-27-41(37-11-3-7-23-45-37)48-42(28-34)38-12-4-8-24-46-38/h1-15,17-28,30H,16H2
InChIKeyNTFOXRAMTFCWAJ-UHFFFAOYSA-N
XLogP9.52
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine 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-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
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
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 165098297
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[3-anthracen-9-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2-dihydroquinazoline
CID 118552133
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-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine (CID 159878535) is 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine is C1=CC(c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)CC=C1c1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is NTFOXRAMTFCWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N6/c1-5-21-43-35(9-1)39-25-33(26-40(47-39)36-10-2-6-22-44-36)31-17-13-29(14-18-31)30-15-19-32(20-16-30)34-27-41(37-11-3-7-23-45-37)48-42(28-34)38-12-4-8-24-46-38/h1-15,17-28,30H,16H2.
What are the key properties of 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 618.74 g/mol, XLogP of 9.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 159878535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).