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

C46H28N8O — CID 122593801

IUPAC2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)ccc43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-15-39-33(11-1)35-25-29(19-21-41(35)53(39)43-17-5-13-37(49-43)31-9-7-23-47-27-31)45-51-52-46(55-45)30-20-22-42-36(26-30)34-12-2-4-16-40(34)54(42)44-18-6-14-38(50-44)32-10-8-24-48-28-32/h1-28H
InChIKeyDSIGGFUTWINSGL-UHFFFAOYSA-N
MW708.79 g/mol
LogP10.51
Rot. Bonds6

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

2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 122593801) 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-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID122593801
Molecular FormulaC46H28N8O
Molecular Weight708.79 g/mol
Exact Mass708.24
IUPAC Name2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)ccc43)n2)c1
InChIInChI=1S/C46H28N8O/c1-3-15-39-33(11-1)35-25-29(19-21-41(35)53(39)43-17-5-13-37(49-43)31-9-7-23-47-27-31)45-51-52-46(55-45)30-20-22-42-36(26-30)34-12-2-4-16-40(34)54(42)44-18-6-14-38(50-44)32-10-8-24-48-28-32/h1-28H
InChIKeyDSIGGFUTWINSGL-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 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[4-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554904
5-[3-[6-(2-methylpiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555076
2-[9-[3-(4,6-Diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 62707567
5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554558
5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555073
5-(3-(6-morpholinopyridin-2-yl)-1H-indol-5-yl)-1,3,4-oxadiazol-2-amine
CID 68328089
5-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 68328574
5-[3-(6-pyrazol-1-yl-2-pyridinyl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 68356823
2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole
CID 90256741
5-[3-[4-[(3S)-3-methylpiperidin-1-yl]pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 126962078
US11420958, Ex. No. 367
CID 154639988
US11420958, Ex. No. 227
CID 154639935

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole (CID 122593801) is 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole is c1cncc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cccnc7)n6)o5)ccc43)n2)c1.
What is the InChIKey of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is DSIGGFUTWINSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N8O/c1-3-15-39-33(11-1)35-25-29(19-21-41(35)53(39)43-17-5-13-37(49-43)31-9-7-23-47-27-31)45-51-52-46(55-45)30-20-22-42-36(26-30)34-12-2-4-16-40(34)54(42)44-18-6-14-38(50-44)32-10-8-24-48-28-32/h1-28H.
What are the key properties of 2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
2,5-bis[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-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-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).