5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine

C44H30N4 — CID 164785648

IUPAC5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1cncc(-c2cc(-c3cccc(-c4cccc(-c5ccncc5)c4)c3)cc(-c3cccc(-c4cccc(-c5cncnc5)c4)c3)c2)c1
InChIInChI=1S/C44H30N4/c1-6-32(31-15-18-45-19-16-31)20-33(7-1)34-8-2-11-37(21-34)41-24-42(26-43(25-41)40-14-5-17-46-27-40)38-12-3-9-35(22-38)36-10-4-13-39(23-36)44-28-47-30-48-29-44/h1-30H
InChIKeyFFPWADOVTHRTCS-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.94
Rot. Bonds7

About 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine

5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine (PubChem CID 164785648) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
PubChem CID164785648
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1cncc(-c2cc(-c3cccc(-c4cccc(-c5ccncc5)c4)c3)cc(-c3cccc(-c4cccc(-c5cncnc5)c4)c3)c2)c1
InChIInChI=1S/C44H30N4/c1-6-32(31-15-18-45-19-16-31)20-33(7-1)34-8-2-11-37(21-34)41-24-42(26-43(25-41)40-14-5-17-46-27-40)38-12-3-9-35(22-38)36-10-4-13-39(23-36)44-28-47-30-48-29-44/h1-30H
InChIKeyFFPWADOVTHRTCS-UHFFFAOYSA-N
XLogP10.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine 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

5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 164991562
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 165106761
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
3-(3,5-diphenylphenyl)pyridine
CID 141411458
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine (CID 164785648) is 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine is c1cncc(-c2cc(-c3cccc(-c4cccc(-c5ccncc5)c4)c3)cc(-c3cccc(-c4cccc(-c5cncnc5)c4)c3)c2)c1.
What is the InChIKey of 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is FFPWADOVTHRTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-6-32(31-15-18-45-19-16-31)20-33(7-1)34-8-2-11-37(21-34)41-24-42(26-43(25-41)40-14-5-17-46-27-40)38-12-3-9-35(22-38)36-10-4-13-39(23-36)44-28-47-30-48-29-44/h1-30H.
What are the key properties of 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 614.75 g/mol, XLogP of 10.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 164785648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).