2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C35H23N3 — CID 122416284

IUPAC2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-18-9-10-20-30(28)34-36-33(27-15-5-2-6-16-27)37-35(38-34)31-21-11-17-26-23-22-25-14-7-8-19-29(25)32(26)31/h1-23H
InChIKeyACSJNDGGDBNMCN-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 122416284) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID122416284
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-18-9-10-20-30(28)34-36-33(27-15-5-2-6-16-27)37-35(38-34)31-21-11-17-26-23-22-25-14-7-8-19-29(25)32(26)31/h1-23H
InChIKeyACSJNDGGDBNMCN-UHFFFAOYSA-N
XLogP8.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.85
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

2-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 164982102
2-(4-benzo[c]phenanthren-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 159651717
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
2-dibenzothiophen-2-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278929
2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine
CID 167087547
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 169278620
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-[2-[3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167413166
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171435962
2-dibenzothiophen-3-yl-4-phenanthren-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 169278876

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 122416284) is 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4ccc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is ACSJNDGGDBNMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-18-9-10-20-30(28)34-36-33(27-15-5-2-6-16-27)37-35(38-34)31-21-11-17-26-23-22-25-14-7-8-19-29(25)32(26)31/h1-23H.
What are the key properties of 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 485.59 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 122416284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).