2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C35H24N2O — CID 59501428

IUPAC2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2c(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C35H24N2O/c1-23-16-21-30-31(22-23)33(24-10-4-2-5-11-24)29-15-9-8-14-28(29)32(30)25-17-19-27(20-18-25)35-37-36-34(38-35)26-12-6-3-7-13-26/h2-22H,1H3
InChIKeyHHBCVOAWUKHBTN-UHFFFAOYSA-N
MW488.59 g/mol
LogP9.35
Rot. Bonds4

About 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59501428) has the molecular formula C35H24N2O and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59501428
Molecular FormulaC35H24N2O
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2c(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C35H24N2O/c1-23-16-21-30-31(22-23)33(24-10-4-2-5-11-24)29-15-9-8-14-28(29)32(30)25-17-19-27(20-18-25)35-37-36-34(38-35)26-12-6-3-7-13-26/h2-22H,1H3
InChIKeyHHBCVOAWUKHBTN-UHFFFAOYSA-N
XLogP9.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
CID 146763008
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2,9-dimethyl-10-phenylanthracene
CID 58435289
7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 153303329
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole
CID 161418300
9-chloro-2,6-dimethyl-10-phenylanthracene
CID 58351152
4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 157281283
5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine
CID 59195172
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59501428) is 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc2c(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HHBCVOAWUKHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O/c1-23-16-21-30-31(22-23)33(24-10-4-2-5-11-24)29-15-9-8-14-28(29)32(30)25-17-19-27(20-18-25)35-37-36-34(38-35)26-12-6-3-7-13-26/h2-22H,1H3.
What are the key properties of 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 488.59 g/mol, XLogP of 9.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59501428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).