4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

C61H48N8O — CID 157439961

IUPAC4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.Cc1nc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)n1
InChIInChI=1S/C37H26N6.C24H22N2O/c1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h2-24H,1H3;4-16H,1-3H3
InChIKeyBRNZIOYKFJCMQV-UHFFFAOYSA-N
MW909.11 g/mol
LogP14.74
Rot. Bonds9

About 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 157439961) has the molecular formula C61H48N8O and a molecular weight of 909.11 g/mol. Its IUPAC name is 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
PubChem CID157439961
Molecular FormulaC61H48N8O
Molecular Weight909.11 g/mol
Exact Mass908.40
IUPAC Name4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.Cc1nc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)n1
InChIInChI=1S/C37H26N6.C24H22N2O/c1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h2-24H,1H3;4-16H,1-3H3
InChIKeyBRNZIOYKFJCMQV-UHFFFAOYSA-N
XLogP14.74
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.11
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1,8-Naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole
CID 71458497
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040560
N-[5-[5-[4-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042113
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042288
2-[4-(4-Fluoro-3-methylphenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
CID 170211624
2-[4-Methyl-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 170211631
4-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
CID 59239327
N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 59407185
2-[4-[10-(1,8-Naphthyridin-3-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59501363
2-Phenyl-5-[4-(10-quinazolin-5-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
CID 59501367
2-Phenyl-5-[4-(10-pyrimidin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
CID 59501381
2-[4-[10-(1,8-Naphthyridin-4-yl)anthracen-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59501391

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (CID 157439961) is 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.Cc1nc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)cc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)n1.
What is the InChIKey of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is BRNZIOYKFJCMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N6.C24H22N2O/c1-25-42-36(34-16-30(26-6-2-10-38-21-26)14-31(17-34)27-7-3-11-39-22-27)20-37(43-25)35-18-32(28-8-4-12-40-23-28)15-33(19-35)29-9-5-13-41-24-29;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h2-24H,1H3;4-16H,1-3H3.
What are the key properties of 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 909.11 g/mol, XLogP of 14.74, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,5-dipyridin-3-ylphenyl)-2-methylpyrimidine;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 157439961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).