2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole

C36H24N6O — CID 122594098

IUPAC2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole
SMILESC1=Cc2c(c3ccc(-c4nnc(-c5ccc6c7ccccc7n(-c7cccnc7)c6c5)o4)cc3n2-c2cccnc2)CC1
InChIInChI=1S/C36H24N6O/c1-3-11-31-27(9-1)29-15-13-23(19-33(29)41(31)25-7-5-17-37-21-25)35-39-40-36(43-35)24-14-16-30-28-10-2-4-12-32(28)42(34(30)20-24)26-8-6-18-38-22-26/h1,3-9,11-22H,2,10H2
InChIKeyHRWAKDFINCGIID-UHFFFAOYSA-N
MW556.63 g/mol
LogP8.19
Rot. Bonds4

About 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole

2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole (PubChem CID 122594098) has the molecular formula C36H24N6O and a molecular weight of 556.63 g/mol. Its IUPAC name is 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole
PubChem CID122594098
Molecular FormulaC36H24N6O
Molecular Weight556.63 g/mol
Exact Mass556.20
IUPAC Name2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole
SMILESC1=Cc2c(c3ccc(-c4nnc(-c5ccc6c7ccccc7n(-c7cccnc7)c6c5)o4)cc3n2-c2cccnc2)CC1
InChIInChI=1S/C36H24N6O/c1-3-11-31-27(9-1)29-15-13-23(19-33(29)41(31)25-7-5-17-37-21-25)35-39-40-36(43-35)24-14-16-30-28-10-2-4-12-32(28)42(34(30)20-24)26-8-6-18-38-22-26/h1,3-9,11-22H,2,10H2
InChIKeyHRWAKDFINCGIID-UHFFFAOYSA-N
XLogP8.19
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole (CID 122594098) is 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole is C1=Cc2c(c3ccc(-c4nnc(-c5ccc6c7ccccc7n(-c7cccnc7)c6c5)o4)cc3n2-c2cccnc2)CC1.
What is the InChIKey of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is HRWAKDFINCGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N6O/c1-3-11-31-27(9-1)29-15-13-23(19-33(29)41(31)25-7-5-17-37-21-25)35-39-40-36(43-35)24-14-16-30-28-10-2-4-12-32(28)42(34(30)20-24)26-8-6-18-38-22-26/h1,3-9,11-22H,2,10H2.
What are the key properties of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole?
2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 556.63 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 122594098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).