2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole

C39H27N3O — CID 59348574

IUPAC2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(C(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)cc1
InChIInChI=1S/C39H27N3O/c1-3-11-27(12-4-1)37(28-19-21-31(22-20-28)39-41-40-38(43-39)30-13-5-2-6-14-30)29-23-25-32(26-24-29)42-35-17-9-7-15-33(35)34-16-8-10-18-36(34)42/h1-26,37H
InChIKeyRGAVQPMJZRVDAD-UHFFFAOYSA-N
MW553.67 g/mol
LogP9.68
Rot. Bonds6

About 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59348574) has the molecular formula C39H27N3O and a molecular weight of 553.67 g/mol. Its IUPAC name is 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59348574
Molecular FormulaC39H27N3O
Molecular Weight553.67 g/mol
Exact Mass553.22
IUPAC Name2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(C(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)cc1
InChIInChI=1S/C39H27N3O/c1-3-11-27(12-4-1)37(28-19-21-31(22-20-28)39-41-40-38(43-39)30-13-5-2-6-14-30)29-23-25-32(26-24-29)42-35-17-9-7-15-33(35)34-16-8-10-18-36(34)42/h1-26,37H
InChIKeyRGAVQPMJZRVDAD-UHFFFAOYSA-N
XLogP9.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59348574) is 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(C(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)cc1.
What is the InChIKey of 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is RGAVQPMJZRVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O/c1-3-11-27(12-4-1)37(28-19-21-31(22-20-28)39-41-40-38(43-39)30-13-5-2-6-14-30)29-23-25-32(26-24-29)42-35-17-9-7-15-33(35)34-16-8-10-18-36(34)42/h1-26,37H.
What are the key properties of 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 553.67 g/mol, XLogP of 9.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-carbazol-9-ylphenyl)-phenylmethyl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).