2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine

C33H21N3 — CID 121287323

IUPAC2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C33H21N3/c1-2-10-24(11-3-1)31-34-32(27-17-14-22-8-4-5-12-25(22)20-27)36-33(35-31)28-18-19-30-26(21-28)16-15-23-9-6-7-13-29(23)30/h1-21H
InChIKeyHMOWAUFXOMMTMB-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.33
Rot. Bonds3

About 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine

2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 121287323) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
PubChem CID121287323
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C33H21N3/c1-2-10-24(11-3-1)31-34-32(27-17-14-22-8-4-5-12-25(22)20-27)36-33(35-31)28-18-19-30-26(21-28)16-15-23-9-6-7-13-29(23)30/h1-21H
InChIKeyHMOWAUFXOMMTMB-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

2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272
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-naphthalen-2-yl-4-(3-phenanthren-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 164981738
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232916
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-phenanthren-2-yl-4-phenanthren-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598294
2-anthracen-2-yl-4-phenanthren-2-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598343
2-benzo[g]phenanthren-3-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158860815

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine (CID 121287323) is 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is HMOWAUFXOMMTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-10-24(11-3-1)31-34-32(27-17-14-22-8-4-5-12-25(22)20-27)36-33(35-31)28-18-19-30-26(21-28)16-15-23-9-6-7-13-29(23)30/h1-21H.
What are the key properties of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-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 2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 121287323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).