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

C62H40N4O — CID 126609037

IUPAC2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7c6)o5)cc43)c2)cc1
InChIInChI=1S/C62H40N4O/c1-5-17-41(18-6-1)47-33-48(42-19-7-2-8-20-42)36-51(35-47)65-57-27-15-13-25-53(57)55-31-29-45(39-59(55)65)61-63-64-62(67-61)46-30-32-56-54-26-14-16-28-58(54)66(60(56)40-46)52-37-49(43-21-9-3-10-22-43)34-50(38-52)44-23-11-4-12-24-44/h1-40H
InChIKeyGNFRQEAQYPGAFB-UHFFFAOYSA-N
MW857.03 g/mol
LogP16.27
Rot. Bonds8

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

2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 126609037) has the molecular formula C62H40N4O and a molecular weight of 857.03 g/mol. Its IUPAC name is 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
PubChem CID126609037
Molecular FormulaC62H40N4O
Molecular Weight857.03 g/mol
Exact Mass856.32
IUPAC Name2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7c6)o5)cc43)c2)cc1
InChIInChI=1S/C62H40N4O/c1-5-17-41(18-6-1)47-33-48(42-19-7-2-8-20-42)36-51(35-47)65-57-27-15-13-25-53(57)55-31-29-45(39-59(55)65)61-63-64-62(67-61)46-30-32-56-54-26-14-16-28-58(54)66(60(56)40-46)52-37-49(43-21-9-3-10-22-43)34-50(38-52)44-23-11-4-12-24-44/h1-40H
InChIKeyGNFRQEAQYPGAFB-UHFFFAOYSA-N
XLogP16.27
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.03
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 122593724
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 122593785
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593778
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593782
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 142356273
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
7-phenyl-5-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-b]carbazole
CID 166592002
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole (CID 126609037) is 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7c6)o5)cc43)c2)cc1.
What is the InChIKey of 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is GNFRQEAQYPGAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4O/c1-5-17-41(18-6-1)47-33-48(42-19-7-2-8-20-42)36-51(35-47)65-57-27-15-13-25-53(57)55-31-29-45(39-59(55)65)61-63-64-62(67-61)46-30-32-56-54-26-14-16-28-58(54)66(60(56)40-46)52-37-49(43-21-9-3-10-22-43)34-50(38-52)44-23-11-4-12-24-44/h1-40H.
What are the key properties of 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole has a molecular weight of 857.03 g/mol, XLogP of 16.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 126609037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).