2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole

C46H28N8O — CID 126609082

IUPAC2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-c3cccc4c3[nH]c3cccc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)c34)n2)c1
InChIInChI=1S/C46H28N8O/c1-2-21-39-31(12-1)43-34(16-5-22-40(43)54(39)41-23-7-18-36(50-41)29-11-9-25-48-27-29)46-53-52-45(55-46)33-15-4-20-38-42(33)32-14-3-13-30(44(32)51-38)37-19-6-17-35(49-37)28-10-8-24-47-26-28/h1-27,51H
InChIKeyOVLWTWBGLYESGL-UHFFFAOYSA-N
MW708.79 g/mol
LogP10.72
Rot. Bonds6

About 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole

2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole (PubChem CID 126609082) has the molecular formula C46H28N8O and a molecular weight of 708.79 g/mol. Its IUPAC name is 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
PubChem CID126609082
Molecular FormulaC46H28N8O
Molecular Weight708.79 g/mol
Exact Mass708.24
IUPAC Name2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-c3cccc4c3[nH]c3cccc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)c34)n2)c1
InChIInChI=1S/C46H28N8O/c1-2-21-39-31(12-1)43-34(16-5-22-40(43)54(39)41-23-7-18-36(50-41)29-11-9-25-48-27-29)46-53-52-45(55-46)33-15-4-20-38-42(33)32-14-3-13-30(44(32)51-38)37-19-6-17-35(49-37)28-10-8-24-47-26-28/h1-27,51H
InChIKeyOVLWTWBGLYESGL-UHFFFAOYSA-N
XLogP10.72
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.79
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole (CID 126609082) is 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole is c1cncc(-c2cccc(-c3cccc4c3[nH]c3cccc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)c34)n2)c1.
What is the InChIKey of 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is OVLWTWBGLYESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N8O/c1-2-21-39-31(12-1)43-34(16-5-22-40(43)54(39)41-23-7-18-36(50-41)29-11-9-25-48-27-29)46-53-52-45(55-46)33-15-4-20-38-42(33)32-14-3-13-30(44(32)51-38)37-19-6-17-35(49-37)28-10-8-24-47-26-28/h1-27,51H.
What are the key properties of 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-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 10.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(6-pyridin-3-yl-2-pyridinyl)-9H-carbazol-4-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 126609082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).