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

C47H29N7O — CID 122593737

IUPAC2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)ccc43)n2)cc1
InChIInChI=1S/C47H29N7O/c1-2-12-30(13-3-1)38-19-9-23-43(49-38)53-40-21-6-5-16-34(40)37-28-31(25-26-42(37)53)46-51-52-47(55-46)36-18-8-17-35-33-15-4-7-22-41(33)54(45(35)36)44-24-10-20-39(50-44)32-14-11-27-48-29-32/h1-29H
InChIKeySDCXJMUACPCLGV-UHFFFAOYSA-N
MW707.80 g/mol
LogP11.12
Rot. Bonds6

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

2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (PubChem CID 122593737) has the molecular formula C47H29N7O and a molecular weight of 707.80 g/mol. Its IUPAC name is 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
PubChem CID122593737
Molecular FormulaC47H29N7O
Molecular Weight707.80 g/mol
Exact Mass707.24
IUPAC Name2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)ccc43)n2)cc1
InChIInChI=1S/C47H29N7O/c1-2-12-30(13-3-1)38-19-9-23-43(49-38)53-40-21-6-5-16-34(40)37-28-31(25-26-42(37)53)46-51-52-47(55-46)36-18-8-17-35-33-15-4-7-22-41(33)54(45(35)36)44-24-10-20-39(50-44)32-14-11-27-48-29-32/h1-29H
InChIKeySDCXJMUACPCLGV-UHFFFAOYSA-N
XLogP11.12
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.80
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (CID 122593737) is 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9cccnc9)n8)c67)o5)ccc43)n2)cc1.
What is the InChIKey of 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The InChIKey is SDCXJMUACPCLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N7O/c1-2-12-30(13-3-1)38-19-9-23-43(49-38)53-40-21-6-5-16-34(40)37-28-31(25-26-42(37)53)46-51-52-47(55-46)36-18-8-17-35-33-15-4-7-22-41(33)54(45(35)36)44-24-10-20-39(50-44)32-14-11-27-48-29-32/h1-29H.
What are the key properties of 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole has a molecular weight of 707.80 g/mol, XLogP of 11.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).