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

C62H40N4O — CID 122593785

IUPAC2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)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)65-57-30-16-14-27-54(57)60-55(28-17-31-58(60)65)62-64-63-61(67-62)45-32-33-53-52-26-13-15-29-56(52)66(59(53)40-45)51-38-48(43-22-9-3-10-23-43)35-49(39-51)44-24-11-4-12-25-44/h1-40H
InChIKeyUPAIDSNDYUSJLW-UHFFFAOYSA-N
MW857.03 g/mol
LogP16.27
Rot. Bonds8

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

2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole (PubChem CID 122593785) has the molecular formula C62H40N4O and a molecular weight of 857.03 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole
PubChem CID122593785
Molecular FormulaC62H40N4O
Molecular Weight857.03 g/mol
Exact Mass856.32
IUPAC Name2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)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)65-57-30-16-14-27-54(57)60-55(28-17-31-58(60)65)62-64-63-61(67-62)45-32-33-53-52-26-13-15-29-56(52)66(59(53)40-45)51-38-48(43-22-9-3-10-23-43)35-49(39-51)44-24-11-4-12-25-44/h1-40H
InChIKeyUPAIDSNDYUSJLW-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
2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 126609037
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
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-[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
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole;2-(9-phenylcarbazol-2-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 162187771

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole (CID 122593785) is 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)o5)cc43)c2)cc1.
What is the InChIKey of 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is UPAIDSNDYUSJLW-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)65-57-30-16-14-27-54(57)60-55(28-17-31-58(60)65)62-64-63-61(67-62)45-32-33-53-52-26-13-15-29-56(52)66(59(53)40-45)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-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole?
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-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-2-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).