2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole

C86H52N8O — CID 122593854

IUPAC2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14cccc%15ccccc%14%15)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C86H52N8O/c1-3-19-65-53(15-1)17-13-25-67(65)55-31-35-57(36-32-55)81-73-23-5-9-27-75(73)87-83(89-81)59-39-45-63(46-40-59)93-77-29-11-7-21-69(77)71-49-43-61(51-79(71)93)85-91-92-86(95-85)62-44-50-72-70-22-8-12-30-78(70)94(80(72)52-62)64-47-41-60(42-48-64)84-88-76-28-10-6-24-74(76)82(90-84)58-37-33-56(34-38-58)68-26-14-18-54-16-2-4-20-66(54)68/h1-52H
InChIKeyVZBGEZPTNSBVFO-UHFFFAOYSA-N
MW1213.42 g/mol
LogP21.79
Rot. Bonds10

About 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole

2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 122593854) has the molecular formula C86H52N8O and a molecular weight of 1213.42 g/mol. Its IUPAC name is 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
PubChem CID122593854
Molecular FormulaC86H52N8O
Molecular Weight1213.42 g/mol
Exact Mass1212.43
IUPAC Name2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14cccc%15ccccc%14%15)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C86H52N8O/c1-3-19-65-53(15-1)17-13-25-67(65)55-31-35-57(36-32-55)81-73-23-5-9-27-75(73)87-83(89-81)59-39-45-63(46-40-59)93-77-29-11-7-21-69(77)71-49-43-61(51-79(71)93)85-91-92-86(95-85)62-44-50-72-70-22-8-12-30-78(70)94(80(72)52-62)64-47-41-60(42-48-64)84-88-76-28-10-6-24-74(76)82(90-84)58-37-33-56(34-38-58)68-26-14-18-54-16-2-4-20-66(54)68/h1-52H
InChIKeyVZBGEZPTNSBVFO-UHFFFAOYSA-N
XLogP21.79
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.42
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole (CID 122593854) is 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole is c1ccc2c(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14cccc%15ccccc%14%15)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is VZBGEZPTNSBVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N8O/c1-3-19-65-53(15-1)17-13-25-67(65)55-31-35-57(36-32-55)81-73-23-5-9-27-75(73)87-83(89-81)59-39-45-63(46-40-59)93-77-29-11-7-21-69(77)71-49-43-61(51-79(71)93)85-91-92-86(95-85)62-44-50-72-70-22-8-12-30-78(70)94(80(72)52-62)64-47-41-60(42-48-64)84-88-76-28-10-6-24-74(76)82(90-84)58-37-33-56(34-38-58)68-26-14-18-54-16-2-4-20-66(54)68/h1-52H.
What are the key properties of 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole has a molecular weight of 1213.42 g/mol, XLogP of 21.79, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).