2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine

C78H50N10 — CID 159080674

IUPAC2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5cc(-c6ccc(-c7cccnc7)nc6)ccc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5cc(-c6ccc(-c7ccncc7)nc6)ccc5cc4c3)n2)cc1
InChIInChI=1S/2C39H25N5/c1-3-8-26(9-4-1)37-42-38(27-10-5-2-6-11-27)44-39(43-37)31-16-15-30-21-34-20-28(13-14-29(34)22-35(30)23-31)32-17-18-36(41-25-32)33-12-7-19-40-24-33;1-3-7-27(8-4-1)37-42-38(28-9-5-2-6-10-28)44-39(43-37)32-14-13-31-22-34-21-29(11-12-30(34)23-35(31)24-32)33-15-16-36(41-25-33)26-17-19-40-20-18-26/h2*1-25H
InChIKeyKAUUNGXBTAYGOK-UHFFFAOYSA-N
MW1127.33 g/mol
LogP18.61
Rot. Bonds10

About 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine

2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine (PubChem CID 159080674) has the molecular formula C78H50N10 and a molecular weight of 1127.33 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine
PubChem CID159080674
Molecular FormulaC78H50N10
Molecular Weight1127.33 g/mol
Exact Mass1126.42
IUPAC Name2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5cc(-c6ccc(-c7cccnc7)nc6)ccc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5cc(-c6ccc(-c7ccncc7)nc6)ccc5cc4c3)n2)cc1
InChIInChI=1S/2C39H25N5/c1-3-8-26(9-4-1)37-42-38(27-10-5-2-6-11-27)44-39(43-37)31-16-15-30-21-34-20-28(13-14-29(34)22-35(30)23-31)32-17-18-36(41-25-32)33-12-7-19-40-24-33;1-3-7-27(8-4-1)37-42-38(28-9-5-2-6-10-28)44-39(43-37)32-14-13-31-22-34-21-29(11-12-30(34)23-35(31)24-32)33-15-16-36(41-25-33)26-17-19-40-20-18-26/h2*1-25H
InChIKeyKAUUNGXBTAYGOK-UHFFFAOYSA-N
XLogP18.61
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.33
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380773
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
2-phenyl-4-(4-phenylphenyl)-6-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 134380944
2-phenyl-4-(4-phenylphenyl)-6-[6-(5-pyridin-2-yl-2-pyridinyl)anthracen-2-yl]-1,3,5-triazine
CID 134380990
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
2-[9,9-dimethyl-6-(6-pyridin-3-yl-3-pyridinyl)fluoren-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134380834
2,4-diphenyl-6-[10-(5-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-4-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine
CID 159657299
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine (CID 159080674) is 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5cc(-c6ccc(-c7cccnc7)nc6)ccc5cc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5cc(-c6ccc(-c7ccncc7)nc6)ccc5cc4c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine?
The InChIKey is KAUUNGXBTAYGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H25N5/c1-3-8-26(9-4-1)37-42-38(27-10-5-2-6-11-27)44-39(43-37)31-16-15-30-21-34-20-28(13-14-29(34)22-35(30)23-31)32-17-18-36(41-25-32)33-12-7-19-40-24-33;1-3-7-27(8-4-1)37-42-38(28-9-5-2-6-10-28)44-39(43-37)32-14-13-31-22-34-21-29(11-12-30(34)23-35(31)24-32)33-15-16-36(41-25-33)26-17-19-40-20-18-26/h2*1-25H.
What are the key properties of 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine has a molecular weight of 1127.33 g/mol, XLogP of 18.61, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[6-(6-pyridin-3-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-(6-pyridin-4-yl-3-pyridinyl)anthracen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 159080674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).