2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

C39H25N3 — CID 164950287

IUPAC2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C39H25N3/c1-3-11-26(12-4-1)28-19-20-30-24-32(22-21-29(30)23-28)38-40-37(27-13-5-2-6-14-27)41-39(42-38)36-25-31-15-7-8-16-33(31)34-17-9-10-18-35(34)36/h1-25H
InChIKeyRRNHIIGGPMNWPH-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

About 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 164950287) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID164950287
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C39H25N3/c1-3-11-26(12-4-1)28-19-20-30-24-32(22-21-29(30)23-28)38-40-37(27-13-5-2-6-14-27)41-39(42-38)36-25-31-15-7-8-16-33(31)34-17-9-10-18-35(34)36/h1-25H
InChIKeyRRNHIIGGPMNWPH-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.00
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-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439472
2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157258126
2-(3-chrysen-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-chrysen-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 167700070
2-naphthalen-2-yl-4-(3-phenanthren-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 164981738
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-phenanthren-1-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171598360
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 164950287) is 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c2)cc1.
What is the InChIKey of 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is RRNHIIGGPMNWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-3-11-26(12-4-1)28-19-20-30-24-32(22-21-29(30)23-28)38-40-37(27-13-5-2-6-14-27)41-39(42-38)36-25-31-15-7-8-16-33(31)34-17-9-10-18-35(34)36/h1-25H.
What are the key properties of 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 164950287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).