5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine

C33H21N3 — CID 166133820

IUPAC5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine
SMILESc1ccc(-c2cnnnc2-c2ccccc2-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C33H21N3/c1-2-11-22(12-3-1)31-21-34-36-35-33(31)30-18-9-7-16-26(30)29-20-10-19-28-25-14-5-4-13-23(25)24-15-6-8-17-27(24)32(28)29/h1-21H
InChIKeyLMALUNNEQXCGEI-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.33
Rot. Bonds3

About 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine

5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine (PubChem CID 166133820) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine.

Molecular Properties

Compound Name5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine
PubChem CID166133820
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine
SMILESc1ccc(-c2cnnnc2-c2ccccc2-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C33H21N3/c1-2-11-22(12-3-1)31-21-34-36-35-33(31)30-18-9-7-16-26(30)29-20-10-19-28-25-14-5-4-13-23(25)24-15-6-8-17-27(24)32(28)29/h1-21H
InChIKeyLMALUNNEQXCGEI-UHFFFAOYSA-N
XLogP8.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine
CID 175828130
4-anthracen-1-yl-5-phenyltriazine
CID 172686741
4-bromopyridine;4,5-diphenyltriazine
CID 175045379
4-bromo-5-phenyltriazine
CID 140869690
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
5-[4-[4-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2,3-diphenylpyrazine
CID 167410449
2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155451025
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
2-[3-[3-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167412455
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 20513184

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine?
The IUPAC name of 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine (CID 166133820) is 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine.
What is the SMILES notation for 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine?
The canonical SMILES for 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine is c1ccc(-c2cnnnc2-c2ccccc2-c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine?
The InChIKey is LMALUNNEQXCGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-11-22(12-3-1)31-21-34-36-35-33(31)30-18-9-7-16-26(30)29-20-10-19-28-25-14-5-4-13-23(25)24-15-6-8-17-27(24)32(28)29/h1-21H.
What are the key properties of 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine?
5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine has a molecular weight of 459.55 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine is sourced from PubChem (CID 166133820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).