2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole

C58H36N8O — CID 122593779

IUPAC2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7c6)o5)ccc43)n2)cc1
InChIInChI=1S/C58H36N8O/c1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)60-57(59-47)65-52-28-16-14-26-44(52)46-33-41(30-32-53(46)65)55-63-64-56(67-55)42-29-31-45-43-25-13-15-27-51(43)66(54(45)34-42)58-61-49(39-21-9-3-10-22-39)36-50(62-58)40-23-11-4-12-24-40/h1-36H
InChIKeyHKCALFZUGKMKNB-UHFFFAOYSA-N
MW860.98 g/mol
LogP13.85
Rot. Bonds8

About 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole

2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 122593779) has the molecular formula C58H36N8O and a molecular weight of 860.98 g/mol. Its IUPAC name is 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID122593779
Molecular FormulaC58H36N8O
Molecular Weight860.98 g/mol
Exact Mass860.30
IUPAC Name2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7c6)o5)ccc43)n2)cc1
InChIInChI=1S/C58H36N8O/c1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)60-57(59-47)65-52-28-16-14-26-44(52)46-33-41(30-32-53(46)65)55-63-64-56(67-55)42-29-31-45-43-25-13-15-27-51(43)66(54(45)34-42)58-61-49(39-21-9-3-10-22-39)36-50(62-58)40-23-11-4-12-24-40/h1-36H
InChIKeyHKCALFZUGKMKNB-UHFFFAOYSA-N
XLogP13.85
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.98
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[9-[3-(4,6-Diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 62707567
2-[4-[4-[9-[4-(4-Carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 23397826
2-N-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-6-carbazol-9-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 57776529
N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903539
N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
CID 58903551
N-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 58903558
N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903655
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 58903721
N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 58903750
2-[4-[3,6-Bis(4-methylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445185
2-[4-[3,6-Bis(4-ethylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445186

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole (CID 122593779) is 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7c6)o5)ccc43)n2)cc1.
What is the InChIKey of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is HKCALFZUGKMKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N8O/c1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)60-57(59-47)65-52-28-16-14-26-44(52)46-33-41(30-32-53(46)65)55-63-64-56(67-55)42-29-31-45-43-25-13-15-27-51(43)66(54(45)34-42)58-61-49(39-21-9-3-10-22-39)36-50(62-58)40-23-11-4-12-24-40/h1-36H.
What are the key properties of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole?
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 860.98 g/mol, XLogP of 13.85, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).