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

C48H30N6O — CID 122593719

IUPAC2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)o5)cc43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-3-14-31(15-4-1)39-22-12-26-44(49-39)53-41-24-9-7-18-34(41)36-29-28-33(30-43(36)53)47-51-52-48(55-47)38-21-11-20-37-35-19-8-10-25-42(35)54(46(37)38)45-27-13-23-40(50-45)32-16-5-2-6-17-32/h1-30H
InChIKeyYIHGFULYBNKGRW-UHFFFAOYSA-N
MW706.81 g/mol
LogP11.72
Rot. Bonds6

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

2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 122593719) has the molecular formula C48H30N6O and a molecular weight of 706.81 g/mol. Its IUPAC name is 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
PubChem CID122593719
Molecular FormulaC48H30N6O
Molecular Weight706.81 g/mol
Exact Mass706.25
IUPAC Name2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)o5)cc43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-3-14-31(15-4-1)39-22-12-26-44(49-39)53-41-24-9-7-18-34(41)36-29-28-33(30-43(36)53)47-51-52-48(55-47)38-21-11-20-37-35-19-8-10-25-42(35)54(46(37)38)45-27-13-23-40(50-45)32-16-5-2-6-17-32/h1-30H
InChIKeyYIHGFULYBNKGRW-UHFFFAOYSA-N
XLogP11.72
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.81
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole (CID 122593719) is 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)o5)cc43)n2)cc1.
What is the InChIKey of 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is YIHGFULYBNKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O/c1-3-14-31(15-4-1)39-22-12-26-44(49-39)53-41-24-9-7-18-34(41)36-29-28-33(30-43(36)53)47-51-52-48(55-47)38-21-11-20-37-35-19-8-10-25-42(35)54(46(37)38)45-27-13-23-40(50-45)32-16-5-2-6-17-32/h1-30H.
What are the key properties of 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole has a molecular weight of 706.81 g/mol, XLogP of 11.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).