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

C62H40N4O — CID 122593724

IUPAC2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c67)o5)cc43)c2)cc1
InChIInChI=1S/C62H40N4O/c1-5-18-41(19-6-1)46-34-47(42-20-7-2-8-21-42)37-50(36-46)65-57-30-15-13-26-52(57)54-33-32-45(40-59(54)65)61-63-64-62(67-61)56-29-17-28-55-53-27-14-16-31-58(53)66(60(55)56)51-38-48(43-22-9-3-10-23-43)35-49(39-51)44-24-11-4-12-25-44/h1-40H
InChIKeyJWOILNCPLVQVFO-UHFFFAOYSA-N
MW857.03 g/mol
LogP16.27
Rot. Bonds8

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

2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 122593724) has the molecular formula C62H40N4O and a molecular weight of 857.03 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
PubChem CID122593724
Molecular FormulaC62H40N4O
Molecular Weight857.03 g/mol
Exact Mass856.32
IUPAC Name2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c67)o5)cc43)c2)cc1
InChIInChI=1S/C62H40N4O/c1-5-18-41(19-6-1)46-34-47(42-20-7-2-8-21-42)37-50(36-46)65-57-30-15-13-26-52(57)54-33-32-45(40-59(54)65)61-63-64-62(67-61)56-29-17-28-55-53-27-14-16-31-58(53)66(60(55)56)51-38-48(43-22-9-3-10-23-43)35-49(39-51)44-24-11-4-12-25-44/h1-40H
InChIKeyJWOILNCPLVQVFO-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

2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 126609037
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 122593785
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole
CID 122593846
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole
CID 122593743
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
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
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole (CID 122593724) is 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c67)o5)cc43)c2)cc1.
What is the InChIKey of 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is JWOILNCPLVQVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4O/c1-5-18-41(19-6-1)46-34-47(42-20-7-2-8-21-42)37-50(36-46)65-57-30-15-13-26-52(57)54-33-32-45(40-59(54)65)61-63-64-62(67-61)56-29-17-28-55-53-27-14-16-31-58(53)66(60(55)56)51-38-48(43-22-9-3-10-23-43)35-49(39-51)44-24-11-4-12-25-44/h1-40H.
What are the key properties of 2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole?
2-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[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-[9-(3,5-diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).