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

C48H30N6O — CID 122593708

IUPAC2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)o5)c43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-3-15-31(16-4-1)39-25-13-29-43(49-39)53-41-27-9-7-19-33(41)35-21-11-23-37(45(35)53)47-51-52-48(55-47)38-24-12-22-36-34-20-8-10-28-42(34)54(46(36)38)44-30-14-26-40(50-44)32-17-5-2-6-18-32/h1-30H
InChIKeyJDOLGCHWCYIGLW-UHFFFAOYSA-N
MW706.81 g/mol
LogP11.72
Rot. Bonds6

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

2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (PubChem CID 122593708) has the molecular formula C48H30N6O and a molecular weight of 706.81 g/mol. Its IUPAC name is 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
PubChem CID122593708
Molecular FormulaC48H30N6O
Molecular Weight706.81 g/mol
Exact Mass706.25
IUPAC Name2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)o5)c43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-3-15-31(16-4-1)39-25-13-29-43(49-39)53-41-27-9-7-19-33(41)35-21-11-23-37(45(35)53)47-51-52-48(55-47)38-24-12-22-36-34-20-8-10-28-42(34)54(46(36)38)44-30-14-26-40(50-44)32-17-5-2-6-18-32/h1-30H
InChIKeyJDOLGCHWCYIGLW-UHFFFAOYSA-N
XLogP11.72
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.81
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 122593757
2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-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
CID 158617740
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187
10-(6-phenyl-2-pyridinyl)furo[2,3-a]carbazole
CID 123314863
12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole
CID 118150729
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 170268381
10-(6-phenyl-2-pyridinyl)thieno[3,2-a]carbazole
CID 123752753
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 158523866
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-2-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-2-yl]-1,3,4-oxadiazole
CID 158337410

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (CID 122593708) is 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)o5)c43)n2)cc1.
What is the InChIKey of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The InChIKey is JDOLGCHWCYIGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O/c1-3-15-31(16-4-1)39-25-13-29-43(49-39)53-41-27-9-7-19-33(41)35-21-11-23-37(45(35)53)47-51-52-48(55-47)38-24-12-22-36-34-20-8-10-28-42(34)54(46(36)38)44-30-14-26-40(50-44)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole has a molecular weight of 706.81 g/mol, XLogP of 11.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).