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

C48H30N6O — CID 122593757

IUPAC2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c7c6)o5)cc43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-3-13-31(14-4-1)39-19-11-23-45(49-39)53-41-21-9-7-17-35(41)37-27-25-33(29-43(37)53)47-51-52-48(55-47)34-26-28-38-36-18-8-10-22-42(36)54(44(38)30-34)46-24-12-20-40(50-46)32-15-5-2-6-16-32/h1-30H
InChIKeyFSXYULWXFOXDJF-UHFFFAOYSA-N
MW706.81 g/mol
LogP11.72
Rot. Bonds6

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

2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 122593757) 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-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
PubChem CID122593757
Molecular FormulaC48H30N6O
Molecular Weight706.81 g/mol
Exact Mass706.25
IUPAC Name2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c7c6)o5)cc43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-3-13-31(14-4-1)39-19-11-23-45(49-39)53-41-21-9-7-17-35(41)37-27-25-33(29-43(37)53)47-51-52-48(55-47)34-26-28-38-36-18-8-10-22-42(36)54(44(38)30-34)46-24-12-20-40(50-46)32-15-5-2-6-16-32/h1-30H
InChIKeyFSXYULWXFOXDJF-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

5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
CID 122593708
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593778
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 126609037
11-(6-phenyl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330790
20-(6-phenyl-2-pyridinyl)-2,20-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432111
26-(6-phenyl-2-pyridinyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432826
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole (CID 122593757) is 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c7c6)o5)cc43)n2)cc1.
What is the InChIKey of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is FSXYULWXFOXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O/c1-3-13-31(14-4-1)39-19-11-23-45(49-39)53-41-21-9-7-17-35(41)37-27-25-33(29-43(37)53)47-51-52-48(55-47)34-26-28-38-36-18-8-10-22-42(36)54(44(38)30-34)46-24-12-20-40(50-46)32-15-5-2-6-16-32/h1-30H.
What are the key properties of 2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole?
2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-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-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).