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

C46H28N8O — CID 122593813

IUPAC2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)ccc43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-17-38-32(12-1)35-26-29(22-23-40(35)53(38)42-20-6-15-36(49-42)30-10-8-24-47-27-30)45-51-52-46(55-45)34-14-5-19-41-44(34)33-13-2-4-18-39(33)54(41)43-21-7-16-37(50-43)31-11-9-25-48-28-31/h1-28H
InChIKeyXOIYVFLPVRBRAR-UHFFFAOYSA-N
MW708.79 g/mol
LogP10.51
Rot. Bonds6

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

2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole (PubChem CID 122593813) has the molecular formula C46H28N8O and a molecular weight of 708.79 g/mol. Its IUPAC name is 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
PubChem CID122593813
Molecular FormulaC46H28N8O
Molecular Weight708.79 g/mol
Exact Mass708.24
IUPAC Name2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)ccc43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-17-38-32(12-1)35-26-29(22-23-40(35)53(38)42-20-6-15-36(49-42)30-10-8-24-47-27-30)45-51-52-46(55-45)34-14-5-19-41-44(34)33-13-2-4-18-39(33)54(41)43-21-7-16-37(50-43)31-11-9-25-48-28-31/h1-28H
InChIKeyXOIYVFLPVRBRAR-UHFFFAOYSA-N
XLogP10.51
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.79
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

CID 154639988
CID 154639988
CID 158772688
CID 158772688
CID 101726644
CID 101726644
CID 58480044
CID 58480044
CID 58480052
CID 58480052
CID 58480114
CID 58480114
CID 89308912
CID 89308912
CID 90754602
CID 90754602
CID 122593705
CID 122593705
CID 122593708
CID 122593708
CID 122593710
CID 122593710
CID 122593711
CID 122593711

Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole (CID 122593813) is 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole is c1cncc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)ccc43)n2)c1.
What is the InChIKey of 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is XOIYVFLPVRBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N8O/c1-3-17-38-32(12-1)35-26-29(22-23-40(35)53(38)42-20-6-15-36(49-42)30-10-8-24-47-27-30)45-51-52-46(55-45)34-14-5-19-41-44(34)33-13-2-4-18-39(33)54(41)43-21-7-16-37(50-43)31-11-9-25-48-28-31/h1-28H.
What are the key properties of 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 708.79 g/mol, XLogP of 10.51, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).