4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline

C50H32N6 — CID 118671034

IUPAC4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccnc6ccccc56)nc(-c5ccnc6ccccc56)n4)c3)cc2)cc1
InChIInChI=1S/C50H32N6/c1-2-10-33(11-3-1)34-17-19-35(20-18-34)38-30-39(36-21-23-37(24-22-36)45-14-8-9-27-51-45)32-40(31-38)48-54-49(43-25-28-52-46-15-6-4-12-41(43)46)56-50(55-48)44-26-29-53-47-16-7-5-13-42(44)47/h1-32H
InChIKeyQUQJHWAVLDABNN-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.03
Rot. Bonds7

About 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline

4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline (PubChem CID 118671034) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline
PubChem CID118671034
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccnc6ccccc56)nc(-c5ccnc6ccccc56)n4)c3)cc2)cc1
InChIInChI=1S/C50H32N6/c1-2-10-33(11-3-1)34-17-19-35(20-18-34)38-30-39(36-21-23-37(24-22-36)45-14-8-9-27-51-45)32-40(31-38)48-54-49(43-25-28-52-46-15-6-4-12-41(43)46)56-50(55-48)44-26-29-53-47-16-7-5-13-42(44)47/h1-32H
InChIKeyQUQJHWAVLDABNN-UHFFFAOYSA-N
XLogP12.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline (CID 118671034) is 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccnc6ccccc56)nc(-c5ccnc6ccccc56)n4)c3)cc2)cc1.
What is the InChIKey of 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline?
The InChIKey is QUQJHWAVLDABNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-2-10-33(11-3-1)34-17-19-35(20-18-34)38-30-39(36-21-23-37(24-22-36)45-14-8-9-27-51-45)32-40(31-38)48-54-49(43-25-28-52-46-15-6-4-12-41(43)46)56-50(55-48)44-26-29-53-47-16-7-5-13-42(44)47/h1-32H.
What are the key properties of 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline?
4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 716.85 g/mol, XLogP of 12.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 118671034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).