5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline

C42H26N6 — CID 158941030

IUPAC5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cc(-c4ccccn4)cc(-c4cc5cccnc5c5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C42H26N6/c1-2-11-28(12-3-1)40-46-41(31-18-17-27-10-4-5-13-29(27)22-31)48-42(47-40)34-24-32(23-33(25-34)37-16-6-7-19-43-37)36-26-30-14-8-20-44-38(30)39-35(36)15-9-21-45-39/h1-26H
InChIKeyPYYKRMRAURPEJZ-UHFFFAOYSA-N
MW614.71 g/mol
LogP9.85
Rot. Bonds5

About 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline

5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline (PubChem CID 158941030) has the molecular formula C42H26N6 and a molecular weight of 614.71 g/mol. Its IUPAC name is 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline
PubChem CID158941030
Molecular FormulaC42H26N6
Molecular Weight614.71 g/mol
Exact Mass614.22
IUPAC Name5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cc(-c4ccccn4)cc(-c4cc5cccnc5c5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C42H26N6/c1-2-11-28(12-3-1)40-46-41(31-18-17-27-10-4-5-13-29(27)22-31)48-42(47-40)34-24-32(23-33(25-34)37-16-6-7-19-43-37)36-26-30-14-8-20-44-38(30)39-35(36)15-9-21-45-39/h1-26H
InChIKeyPYYKRMRAURPEJZ-UHFFFAOYSA-N
XLogP9.85
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline
CID 129201375
2-naphthalen-2-yl-4-[3-phenanthren-9-yl-5-(5-pyrimidin-2-yl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 122416046
4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 137472837
5-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-5-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484545
4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
5-[3-(4-benzo[g]quinolin-10-yl-6-phenyl-1,3,5-triazin-2-yl)-5-benzo[h]quinolin-5-ylphenyl]-1,10-phenanthroline
CID 153466085

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline?
The IUPAC name of 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline (CID 158941030) is 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline.
What is the SMILES notation for 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline?
The canonical SMILES for 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline is c1ccc(-c2nc(-c3cc(-c4ccccn4)cc(-c4cc5cccnc5c5ncccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline?
The InChIKey is PYYKRMRAURPEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6/c1-2-11-28(12-3-1)40-46-41(31-18-17-27-10-4-5-13-29(27)22-31)48-42(47-40)34-24-32(23-33(25-34)37-16-6-7-19-43-37)36-26-30-14-8-20-44-38(30)39-35(36)15-9-21-45-39/h1-26H.
What are the key properties of 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline?
5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline has a molecular weight of 614.71 g/mol, XLogP of 9.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline is sourced from PubChem (CID 158941030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).