2-phenanthren-1-yl-1,3,5-triazine

C17H11N3 — CID 174667753

IUPAC2-phenanthren-1-yl-1,3,5-triazine
SMILESc1ccc2c(c1)ccc1c(-c3ncncn3)cccc12
InChIInChI=1S/C17H11N3/c1-2-5-13-12(4-1)8-9-15-14(13)6-3-7-16(15)17-19-10-18-11-20-17/h1-11H
InChIKeySRJAJCRNKAWJTC-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.85
Rot. Bonds1

About 2-phenanthren-1-yl-1,3,5-triazine

2-phenanthren-1-yl-1,3,5-triazine (PubChem CID 174667753) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-phenanthren-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-1-yl-1,3,5-triazine
PubChem CID174667753
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-phenanthren-1-yl-1,3,5-triazine
SMILESc1ccc2c(c1)ccc1c(-c3ncncn3)cccc12
InChIInChI=1S/C17H11N3/c1-2-5-13-12(4-1)8-9-15-14(13)6-3-7-16(15)17-19-10-18-11-20-17/h1-11H
InChIKeySRJAJCRNKAWJTC-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.85
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-anthracen-1-yl-1,3,5-triazine
CID 87717818
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-chrysen-6-ylpyrimidine;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-1,3,5-triazine;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)pyrimidine;2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-1,3,5-triazine
CID 160996171
1-phenylphenanthrene;pyrazine
CID 175377735
2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-1,3,5-triazine
CID 121287710
chrysene;iron
CID 157379031
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
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
ethene;picene
CID 175286520
2-phenanthren-1-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171598360
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-1-yl-1,3,5-triazine?
The IUPAC name of 2-phenanthren-1-yl-1,3,5-triazine (CID 174667753) is 2-phenanthren-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-1-yl-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-1-yl-1,3,5-triazine is c1ccc2c(c1)ccc1c(-c3ncncn3)cccc12.
What is the InChIKey of 2-phenanthren-1-yl-1,3,5-triazine?
The InChIKey is SRJAJCRNKAWJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-5-13-12(4-1)8-9-15-14(13)6-3-7-16(15)17-19-10-18-11-20-17/h1-11H.
What are the key properties of 2-phenanthren-1-yl-1,3,5-triazine?
2-phenanthren-1-yl-1,3,5-triazine has a molecular weight of 257.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-yl-1,3,5-triazine is sourced from PubChem (CID 174667753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).