4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole

C26H19N3 — CID 102034106

IUPAC4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole
SMILESC=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C26H19N3/c1-19(20-11-4-2-5-12-20)25-26(28-29(27-25)22-15-6-3-7-16-22)24-18-10-14-21-13-8-9-17-23(21)24/h2-18H,1H2
InChIKeyZNKAKMQDLVYPPI-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.15
Rot. Bonds4

About 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole

4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole (PubChem CID 102034106) has the molecular formula C26H19N3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole
PubChem CID102034106
Molecular FormulaC26H19N3
Molecular Weight373.46 g/mol
Exact Mass373.16
IUPAC Name4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole
SMILESC=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C26H19N3/c1-19(20-11-4-2-5-12-20)25-26(28-29(27-25)22-15-6-3-7-16-22)24-18-10-14-21-13-8-9-17-23(21)24/h2-18H,1H2
InChIKeyZNKAKMQDLVYPPI-UHFFFAOYSA-N
XLogP6.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Naphthalen-1-yl-2,3-diphenyltetrazol-2-ium chloride
CID 44456242
2,4,5-Triphenyl-1,2,3-triazol
CID 561195
2-Phenyl-2H-phenanthro(9,10-d)triazole
CID 626427
4,5-Bis(4-methylphenyl)-2-phenyltriazole
CID 12519717
4-[5-(4-Carbamimidoylphenyl)-2-phenyl-triazol-4-yl]benzamidine
CID 71593965
1-Oxo-2,4,5-triphenyl-2H-1lambda~5~,2,3-triazole
CID 12649721
Triazolylpyrene
CID 87256789
2-(4-Styrylphenyl)-2H-naphtho[1,2-d][1,2,3]triazole
CID 5870823
2-(p-Tolyl)-2H-phenanthro(9,10-d)triazole
CID 628091
Ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane
CID 58856364
1,4-Diphenylbenzo[g]phthalazine
CID 12478115
3,6-Dinaphthalen-2-ylpyridazine
CID 14451137

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole?
The IUPAC name of 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole (CID 102034106) is 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole.
What is the SMILES notation for 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole?
The canonical SMILES for 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole is C=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole?
The InChIKey is ZNKAKMQDLVYPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3/c1-19(20-11-4-2-5-12-20)25-26(28-29(27-25)22-15-6-3-7-16-22)24-18-10-14-21-13-8-9-17-23(21)24/h2-18H,1H2.
What are the key properties of 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole?
4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole has a molecular weight of 373.46 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2-phenyl-5-(1-phenylethenyl)triazole is sourced from PubChem (CID 102034106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).