2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole

C34H20N6O2 — CID 58084666

IUPAC2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1cc(-n2c3ccccc3c3cc(-c4nnco4)ccc32)cc(-n2c3ccccc3c3cc(-c4nnco4)ccc32)c1
InChIInChI=1S/C34H20N6O2/c1-3-10-29-25(8-1)27-16-21(33-37-35-19-41-33)12-14-31(27)39(29)23-6-5-7-24(18-23)40-30-11-4-2-9-26(30)28-17-22(13-15-32(28)40)34-38-36-20-42-34/h1-20H
InChIKeyJJGAFOABNSCKOL-UHFFFAOYSA-N
MW544.57 g/mol
LogP7.98
Rot. Bonds4

About 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole

2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 58084666) has the molecular formula C34H20N6O2 and a molecular weight of 544.57 g/mol. Its IUPAC name is 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID58084666
Molecular FormulaC34H20N6O2
Molecular Weight544.57 g/mol
Exact Mass544.16
IUPAC Name2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1cc(-n2c3ccccc3c3cc(-c4nnco4)ccc32)cc(-n2c3ccccc3c3cc(-c4nnco4)ccc32)c1
InChIInChI=1S/C34H20N6O2/c1-3-10-29-25(8-1)27-16-21(33-37-35-19-41-33)12-14-31(27)39(29)23-6-5-7-24(18-23)40-30-11-4-2-9-26(30)28-17-22(13-15-32(28)40)34-38-36-20-42-34/h1-20H
InChIKeyJJGAFOABNSCKOL-UHFFFAOYSA-N
XLogP7.98
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.57
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole (CID 58084666) is 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole is c1cc(-n2c3ccccc3c3cc(-c4nnco4)ccc32)cc(-n2c3ccccc3c3cc(-c4nnco4)ccc32)c1.
What is the InChIKey of 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is JJGAFOABNSCKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N6O2/c1-3-10-29-25(8-1)27-16-21(33-37-35-19-41-33)12-14-31(27)39(29)23-6-5-7-24(18-23)40-30-11-4-2-9-26(30)28-17-22(13-15-32(28)40)34-38-36-20-42-34/h1-20H.
What are the key properties of 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 544.57 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-(1,3,4-oxadiazol-2-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 58084666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).