2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine

C34H23N3 — CID 170722250

IUPAC2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1
InChIInChI=1S/C34H23N3/c1-2-12-23(13-3-1)31-35-32(27-18-10-14-22-11-4-5-15-24(22)27)37-33(36-31)34-21-28(25-16-6-8-19-29(25)34)26-17-7-9-20-30(26)34/h1-20,28H,21H2
InChIKeyGXFQLGZVQIVIMV-UHFFFAOYSA-N
MW473.58 g/mol
LogP7.54
Rot. Bonds3

About 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine

2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine (PubChem CID 170722250) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
PubChem CID170722250
Molecular FormulaC34H23N3
Molecular Weight473.58 g/mol
Exact Mass473.19
IUPAC Name2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1
InChIInChI=1S/C34H23N3/c1-2-12-23(13-3-1)31-35-32(27-18-10-14-22-11-4-5-15-24(22)27)37-33(36-31)34-21-28(25-16-6-8-19-29(25)34)26-17-7-9-20-30(26)34/h1-20,28H,21H2
InChIKeyGXFQLGZVQIVIMV-UHFFFAOYSA-N
XLogP7.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine (CID 170722250) is 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(C34CC(c5ccccc53)c3ccccc34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
The InChIKey is GXFQLGZVQIVIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3/c1-2-12-23(13-3-1)31-35-32(27-18-10-14-22-11-4-5-15-24(22)27)37-33(36-31)34-21-28(25-16-6-8-19-29(25)34)26-17-7-9-20-30(26)34/h1-20,28H,21H2.
What are the key properties of 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine?
2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine has a molecular weight of 473.58 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine is sourced from PubChem (CID 170722250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).