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

C86H52N8O — CID 122593856

IUPAC2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14ccc%15ccccc%15c%14)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C86H52N8O/c1-3-15-61-49-63(35-29-53(61)13-1)55-25-31-57(32-26-55)81-73-19-5-9-21-75(73)87-83(89-81)59-37-43-67(44-38-59)93-77-23-11-7-17-69(77)71-47-41-65(51-79(71)93)85-91-92-86(95-85)66-42-48-72-70-18-8-12-24-78(70)94(80(72)52-66)68-45-39-60(40-46-68)84-88-76-22-10-6-20-74(76)82(90-84)58-33-27-56(28-34-58)64-36-30-54-14-2-4-16-62(54)50-64/h1-52H
InChIKeyUECFWFAHRQOPLF-UHFFFAOYSA-N
MW1213.42 g/mol
LogP21.79
Rot. Bonds10

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

2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 122593856) 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-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
PubChem CID122593856
Molecular FormulaC86H52N8O
Molecular Weight1213.42 g/mol
Exact Mass1212.43
IUPAC Name2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14ccc%15ccccc%15c%14)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C86H52N8O/c1-3-15-61-49-63(35-29-53(61)13-1)55-25-31-57(32-26-55)81-73-19-5-9-21-75(73)87-83(89-81)59-37-43-67(44-38-59)93-77-23-11-7-17-69(77)71-47-41-65(51-79(71)93)85-91-92-86(95-85)66-42-48-72-70-18-8-12-24-78(70)94(80(72)52-66)68-45-39-60(40-46-68)84-88-76-22-10-6-20-74(76)82(90-84)58-33-27-56(28-34-58)64-36-30-54-14-2-4-16-62(54)50-64/h1-52H
InChIKeyUECFWFAHRQOPLF-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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Related Compounds

16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159951318
2,5-Bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
CID 139237926
2-(4-Tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
CID 23079582
2-[2-Methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole
CID 57983863
2-Phenyl-5-[6,7,16,17-tetraphenyl-15-(5-phenyl-1,3,4-oxadiazol-2-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaen-8-yl]-1,3,4-oxadiazole
CID 58161141
2-Phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole
CID 58161458
N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 59211035
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
CID 59211084
N-[9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
CID 59211100
N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
CID 59211129
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
CID 59211131

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole (CID 122593856) is 2,5-bis[9-[4-[4-(4-naphthalen-2-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-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole is c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8nnc(-c9ccc%10c%11ccccc%11n(-c%11ccc(-c%12nc(-c%13ccc(-c%14ccc%15ccccc%15c%14)cc%13)c%13ccccc%13n%12)cc%11)c%10c9)o8)cc76)cc5)nc5ccccc45)cc3)ccc2c1.
What is the InChIKey of 2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is UECFWFAHRQOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N8O/c1-3-15-61-49-63(35-29-53(61)13-1)55-25-31-57(32-26-55)81-73-19-5-9-21-75(73)87-83(89-81)59-37-43-67(44-38-59)93-77-23-11-7-17-69(77)71-47-41-65(51-79(71)93)85-91-92-86(95-85)66-42-48-72-70-18-8-12-24-78(70)94(80(72)52-66)68-45-39-60(40-46-68)84-88-76-22-10-6-20-74(76)82(90-84)58-33-27-56(28-34-58)64-36-30-54-14-2-4-16-62(54)50-64/h1-52H.
What are the key properties of 2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole?
2,5-bis[9-[4-[4-(4-naphthalen-2-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-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).