5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole

C30H26N6O2 — CID 154717351

IUPAC5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole
SMILESCOc1ccc2c(-c3c(-c4ccccc4)nnn3C)c(OC)ccc2c1-c1c(-c2ccccc2)nnn1C
InChIInChI=1S/C30H26N6O2/c1-35-29(27(31-33-35)19-11-7-5-8-12-19)25-21-15-18-24(38-4)26(22(21)16-17-23(25)37-3)30-28(32-34-36(30)2)20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyKAUHLLSBZHRVIX-UHFFFAOYSA-N
MW502.58 g/mol
LogP5.78
Rot. Bonds6

About 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole

5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole (PubChem CID 154717351) has the molecular formula C30H26N6O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole.

Molecular Properties

Compound Name5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole
PubChem CID154717351
Molecular FormulaC30H26N6O2
Molecular Weight502.58 g/mol
Exact Mass502.21
IUPAC Name5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole
SMILESCOc1ccc2c(-c3c(-c4ccccc4)nnn3C)c(OC)ccc2c1-c1c(-c2ccccc2)nnn1C
InChIInChI=1S/C30H26N6O2/c1-35-29(27(31-33-35)19-11-7-5-8-12-19)25-21-15-18-24(38-4)26(22(21)16-17-23(25)37-3)30-28(32-34-36(30)2)20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyKAUHLLSBZHRVIX-UHFFFAOYSA-N
XLogP5.78
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
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1-heptyl-5-(4-methoxyphenyl)-4-phenyltriazole
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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole?
The IUPAC name of 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole (CID 154717351) is 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole.
What is the SMILES notation for 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole?
The canonical SMILES for 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole is COc1ccc2c(-c3c(-c4ccccc4)nnn3C)c(OC)ccc2c1-c1c(-c2ccccc2)nnn1C.
What is the InChIKey of 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole?
The InChIKey is KAUHLLSBZHRVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O2/c1-35-29(27(31-33-35)19-11-7-5-8-12-19)25-21-15-18-24(38-4)26(22(21)16-17-23(25)37-3)30-28(32-34-36(30)2)20-13-9-6-10-14-20/h5-18H,1-4H3.
What are the key properties of 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole?
5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole has a molecular weight of 502.58 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole is sourced from PubChem (CID 154717351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).