6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline

C52H34N6 — CID 163490932

IUPAC6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5ncc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-35(16-6-1)47-33-48(55-49(54-47)36-17-7-2-8-18-36)42-25-13-23-39(29-42)41-27-28-46-44(31-41)32-45(34-53-46)40-24-14-26-43(30-40)52-57-50(37-19-9-3-10-20-37)56-51(58-52)38-21-11-4-12-22-38/h1-34H
InChIKeyCMNZJPWAEXEWOR-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.55
Rot. Bonds8

About 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline

6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 163490932) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID163490932
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5ncc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-35(16-6-1)47-33-48(55-49(54-47)36-17-7-2-8-18-36)42-25-13-23-39(29-42)41-27-28-46-44(31-41)32-45(34-53-46)40-24-14-26-43(30-40)52-57-50(37-19-9-3-10-20-37)56-51(58-52)38-21-11-4-12-22-38/h1-34H
InChIKeyCMNZJPWAEXEWOR-UHFFFAOYSA-N
XLogP12.55
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline 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

4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
2-phenyl-4-(4-phenylphenyl)-6-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 163490932) is 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc(-c2cc(-c3cccc(-c4ccc5ncc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc5c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is CMNZJPWAEXEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-5-15-35(16-6-1)47-33-48(55-49(54-47)36-17-7-2-8-18-36)42-25-13-23-39(29-42)41-27-28-46-44(31-41)32-45(34-53-46)40-24-14-26-43(30-40)52-57-50(37-19-9-3-10-20-37)56-51(58-52)38-21-11-4-12-22-38/h1-34H.
What are the key properties of 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline has a molecular weight of 742.89 g/mol, XLogP of 12.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 163490932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).