2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine

C44H30N4 — CID 165168395

IUPAC2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)cc5)cc4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C44H30N4/c1-3-10-36(11-4-1)40-15-7-8-16-41(40)44-47-42(37-12-5-2-6-13-37)46-43(48-44)38-27-25-34(26-28-38)32-19-17-31(18-20-32)33-21-23-35(24-22-33)39-14-9-29-45-30-39/h1-30H
InChIKeyFESSZUCIOHKIOL-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.94
Rot. Bonds7

About 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine

2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 165168395) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID165168395
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)cc5)cc4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C44H30N4/c1-3-10-36(11-4-1)40-15-7-8-16-41(40)44-47-42(37-12-5-2-6-13-37)46-43(48-44)38-27-25-34(26-28-38)32-19-17-31(18-20-32)33-21-23-35(24-22-33)39-14-9-29-45-30-39/h1-30H
InChIKeyFESSZUCIOHKIOL-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 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine 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-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 171440364
2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-4-(2-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 167412816
2-[2-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 167412079
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
2-naphthalen-2-yl-4-phenyl-6-[2-phenyl-4-(2-phenyl-4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 175394211
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 118952098
2,4-diphenyl-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;3-[3-pyridin-3-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 160706357
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 165168395) is 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6cccnc6)cc5)cc4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is FESSZUCIOHKIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-3-10-36(11-4-1)40-15-7-8-16-41(40)44-47-42(37-12-5-2-6-13-37)46-43(48-44)38-27-25-34(26-28-38)32-19-17-31(18-20-32)33-21-23-35(24-22-33)39-14-9-29-45-30-39/h1-30H.
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine 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 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 165168395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).