2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine

C40H28N4 — CID 166888312

IUPAC2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine
SMILESC1=c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3ccccc3c(-c3ccccn3)c2=CCC1
InChIInChI=1S/C40H28N4/c1-3-14-27(15-4-1)38-42-39(28-16-5-2-6-17-28)44-40(43-38)30-19-13-18-29(26-30)36-31-20-7-9-22-33(31)37(35-24-11-12-25-41-35)34-23-10-8-21-32(34)36/h1-7,9,11-26H,8,10H2
InChIKeyPLDPTIDJTKYYKX-UHFFFAOYSA-N
MW564.69 g/mol
LogP8.11
Rot. Bonds5

About 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine (PubChem CID 166888312) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine
PubChem CID166888312
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine
SMILESC1=c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3ccccc3c(-c3ccccn3)c2=CCC1
InChIInChI=1S/C40H28N4/c1-3-14-27(15-4-1)38-42-39(28-16-5-2-6-17-28)44-40(43-38)30-19-13-18-29(26-30)36-31-20-7-9-22-33(31)37(35-24-11-12-25-41-35)34-23-10-8-21-32(34)36/h1-7,9,11-26H,8,10H2
InChIKeyPLDPTIDJTKYYKX-UHFFFAOYSA-N
XLogP8.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 118313935
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167132031
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473
2-phenyl-4-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 156903781
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline
CID 166908308
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
4-[3-(10-phenylanthracen-9-yl)phenyl]-2-pyridin-3-yl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 118314136
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
4-[2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]isoquinoline
CID 118314052

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine (CID 166888312) is 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine is C1=c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3ccccc3c(-c3ccccn3)c2=CCC1.
What is the InChIKey of 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is PLDPTIDJTKYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-3-14-27(15-4-1)38-42-39(28-16-5-2-6-17-28)44-40(43-38)30-19-13-18-29(26-30)36-31-20-7-9-22-33(31)37(35-24-11-12-25-41-35)34-23-10-8-21-32(34)36/h1-7,9,11-26H,8,10H2.
What are the key properties of 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 564.69 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 166888312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).