1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole

C32H28N6O — CID 71740831

IUPAC1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole
SMILESc1ccc(-c2ccc(Cn3cc(COCc4cn(Cc5ccc(-c6ccccc6)cc5)nn4)nn3)cc2)cc1
InChIInChI=1S/C32H28N6O/c1-3-7-27(8-4-1)29-15-11-25(12-16-29)19-37-21-31(33-35-37)23-39-24-32-22-38(36-34-32)20-26-13-17-30(18-14-26)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2
InChIKeyHTQMZPSBXJTABO-UHFFFAOYSA-N
MW512.62 g/mol
LogP6.02
Rot. Bonds10

About 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole

1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole (PubChem CID 71740831) has the molecular formula C32H28N6O and a molecular weight of 512.62 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole
PubChem CID71740831
Molecular FormulaC32H28N6O
Molecular Weight512.62 g/mol
Exact Mass512.23
IUPAC Name1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole
SMILESc1ccc(-c2ccc(Cn3cc(COCc4cn(Cc5ccc(-c6ccccc6)cc5)nn4)nn3)cc2)cc1
InChIInChI=1S/C32H28N6O/c1-3-7-27(8-4-1)29-15-11-25(12-16-29)19-37-21-31(33-35-37)23-39-24-32-22-38(36-34-32)20-26-13-17-30(18-14-26)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2
InChIKeyHTQMZPSBXJTABO-UHFFFAOYSA-N
XLogP6.02
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole (CID 71740831) is 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole is c1ccc(-c2ccc(Cn3cc(COCc4cn(Cc5ccc(-c6ccccc6)cc5)nn4)nn3)cc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole?
The InChIKey is HTQMZPSBXJTABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6O/c1-3-7-27(8-4-1)29-15-11-25(12-16-29)19-37-21-31(33-35-37)23-39-24-32-22-38(36-34-32)20-26-13-17-30(18-14-26)28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole?
1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole has a molecular weight of 512.62 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-4-[[1-[(4-phenylphenyl)methyl]triazol-4-yl]methoxymethyl]triazole is sourced from PubChem (CID 71740831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).