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

C46H28N8O — CID 122593705

IUPAC2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)c43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-21-39-31(13-1)33-15-5-17-35(43(33)53(39)41-23-7-19-37(49-41)29-11-9-25-47-27-29)45-51-52-46(55-45)36-18-6-16-34-32-14-2-4-22-40(32)54(44(34)36)42-24-8-20-38(50-42)30-12-10-26-48-28-30/h1-28H
InChIKeySRSCQHGNEGLFNX-UHFFFAOYSA-N
MW708.79 g/mol
LogP10.51
Rot. Bonds6

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

2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (PubChem CID 122593705) has the molecular formula C46H28N8O and a molecular weight of 708.79 g/mol. Its IUPAC name is 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
PubChem CID122593705
Molecular FormulaC46H28N8O
Molecular Weight708.79 g/mol
Exact Mass708.24
IUPAC Name2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)c43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-21-39-31(13-1)33-15-5-17-35(43(33)53(39)41-23-7-19-37(49-41)29-11-9-25-47-27-29)45-51-52-46(55-45)36-18-6-16-34-32-14-2-4-22-40(32)54(44(34)36)42-24-8-20-38(50-42)30-12-10-26-48-28-30/h1-28H
InChIKeySRSCQHGNEGLFNX-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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (CID 122593705) is 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is c1cncc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)c43)n2)c1.
What is the InChIKey of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The InChIKey is SRSCQHGNEGLFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N8O/c1-3-21-39-31(13-1)33-15-5-17-35(43(33)53(39)41-23-7-19-37(49-41)29-11-9-25-47-27-29)45-51-52-46(55-45)36-18-6-16-34-32-14-2-4-22-40(32)54(44(34)36)42-24-8-20-38(50-42)30-12-10-26-48-28-30/h1-28H.
What are the key properties of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-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 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).