2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C34H24N4O2 — CID 135250251

IUPAC2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)c1cc(-c3ccc(C4=NCCO4)nc3)ccc1c1ccc(-c3ccc(C4=NCCO4)nc3)cc21
InChIInChI=1S/C34H24N4O2/c1-2-4-26-25(3-1)29-17-21(23-7-11-31(37-19-23)33-35-13-15-39-33)5-9-27(29)28-10-6-22(18-30(26)28)24-8-12-32(38-20-24)34-36-14-16-40-34/h1-12,17-20H,13-16H2
InChIKeyJJTZBCGGIDLZRM-UHFFFAOYSA-N
MW520.59 g/mol
LogP6.82
Rot. Bonds4

About 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135250251) has the molecular formula C34H24N4O2 and a molecular weight of 520.59 g/mol. Its IUPAC name is 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID135250251
Molecular FormulaC34H24N4O2
Molecular Weight520.59 g/mol
Exact Mass520.19
IUPAC Name2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)c1cc(-c3ccc(C4=NCCO4)nc3)ccc1c1ccc(-c3ccc(C4=NCCO4)nc3)cc21
InChIInChI=1S/C34H24N4O2/c1-2-4-26-25(3-1)29-17-21(23-7-11-31(37-19-23)33-35-13-15-39-33)5-9-27(29)28-10-6-22(18-30(26)28)24-8-12-32(38-20-24)34-36-14-16-40-34/h1-12,17-20H,13-16H2
InChIKeyJJTZBCGGIDLZRM-UHFFFAOYSA-N
XLogP6.82
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 135250251) is 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc2c(c1)c1cc(-c3ccc(C4=NCCO4)nc3)ccc1c1ccc(-c3ccc(C4=NCCO4)nc3)cc21.
What is the InChIKey of 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JJTZBCGGIDLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4O2/c1-2-4-26-25(3-1)29-17-21(23-7-11-31(37-19-23)33-35-13-15-39-33)5-9-27(29)28-10-6-22(18-30(26)28)24-8-12-32(38-20-24)34-36-14-16-40-34/h1-12,17-20H,13-16H2.
What are the key properties of 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 520.59 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135250251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).