2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole

C33H21N3O — CID 146548816

IUPAC2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nc5ccccc5c5c(-c6ccccc6)cccc45)cc3)o2)cc1
InChIInChI=1S/C33H21N3O/c1-3-10-22(11-4-1)26-15-9-16-28-30(26)27-14-7-8-17-29(27)34-31(28)23-18-20-25(21-19-23)33-36-35-32(37-33)24-12-5-2-6-13-24/h1-21H
InChIKeyYQECTOQXAJIRIY-UHFFFAOYSA-N
MW475.55 g/mol
LogP8.44
Rot. Bonds4

About 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 146548816) has the molecular formula C33H21N3O and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole
PubChem CID146548816
Molecular FormulaC33H21N3O
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC Name2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nc5ccccc5c5c(-c6ccccc6)cccc45)cc3)o2)cc1
InChIInChI=1S/C33H21N3O/c1-3-10-22(11-4-1)26-15-9-16-28-30(26)27-14-7-8-17-29(27)34-31(28)23-18-20-25(21-19-23)33-36-35-32(37-33)24-12-5-2-6-13-24/h1-21H
InChIKeyYQECTOQXAJIRIY-UHFFFAOYSA-N
XLogP8.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole
CID 146548892
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine
CID 146549040
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine
CID 146548480
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole (CID 146548816) is 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4nc5ccccc5c5c(-c6ccccc6)cccc45)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is YQECTOQXAJIRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O/c1-3-10-22(11-4-1)26-15-9-16-28-30(26)27-14-7-8-17-29(27)34-31(28)23-18-20-25(21-19-23)33-36-35-32(37-33)24-12-5-2-6-13-24/h1-21H.
What are the key properties of 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 475.55 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 146548816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).