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

C46H28N8O — CID 122593750

IUPAC2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)cccc43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-20-38-31(13-1)32-15-5-17-35(44(32)54(38)42-24-8-19-37(50-42)30-12-10-26-48-28-30)46-52-51-45(55-46)34-16-6-22-40-43(34)33-14-2-4-21-39(33)53(40)41-23-7-18-36(49-41)29-11-9-25-47-27-29/h1-28H
InChIKeyZBRKJNVEUATNPC-UHFFFAOYSA-N
MW708.79 g/mol
LogP10.51
Rot. Bonds6

About 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-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-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole (PubChem CID 122593750) 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-1-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-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
PubChem CID122593750
Molecular FormulaC46H28N8O
Molecular Weight708.79 g/mol
Exact Mass708.24
IUPAC Name2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)cccc43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-20-38-31(13-1)32-15-5-17-35(44(32)54(38)42-24-8-19-37(50-42)30-12-10-26-48-28-30)46-52-51-45(55-46)34-16-6-22-40-43(34)33-14-2-4-21-39(33)53(40)41-23-7-18-36(49-41)29-11-9-25-47-27-29/h1-28H
InChIKeyZBRKJNVEUATNPC-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-1-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-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-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-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole (CID 122593750) is 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-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-1-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-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole is c1cncc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)cccc43)n2)c1.
What is the InChIKey of 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is ZBRKJNVEUATNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N8O/c1-3-20-38-31(13-1)32-15-5-17-35(44(32)54(38)42-24-8-19-37(50-42)30-12-10-26-48-28-30)46-52-51-45(55-46)34-16-6-22-40-43(34)33-14-2-4-21-39(33)53(40)41-23-7-18-36(49-41)29-11-9-25-47-27-29/h1-28H.
What are the key properties of 2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-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-1-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-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).