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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole

C234H142N26O2S2 — CID 160782832

IUPAC2,5-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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nnc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)s4)c32)cc1.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.c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7nnc(-c8ccc9c%10ccccc%10n(-c%10ccc(-c%11nc(-c%12ccc%13ccccc%13c%12)c%12ccccc%12n%11)cc%10)c9c8)o7)cc65)cc4)nc4ccccc34)ccc2c1.c1cncc(-n2c3ccccc3c3cccc(-c4nnc(-c5cccc6c7ccccc7n(-c7cccnc7)c56)s4)c32)c1
InChIInChI=1S/C86H52N8O.C74H44N8O.C38H24N4S.C36H22N6S/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;1-3-15-49-41-51(27-25-45(49)13-1)69-61-19-5-9-21-63(61)75-71(77-69)47-29-35-55(36-30-47)81-65-23-11-7-17-57(65)59-39-33-53(43-67(59)81)73-79-80-74(83-73)54-34-40-60-58-18-8-12-24-66(58)82(68(60)44-54)56-37-31-48(32-38-56)72-76-64-22-10-6-20-62(64)70(78-72)52-28-26-46-14-2-4-16-50(46)42-52;1-3-13-25(14-4-1)41-33-23-9-7-17-27(33)29-19-11-21-31(35(29)41)37-39-40-38(43-37)32-22-12-20-30-28-18-8-10-24-34(28)42(36(30)32)26-15-5-2-6-16-26;1-3-17-31-25(11-1)27-13-5-15-29(33(27)41(31)23-9-7-19-37-21-23)35-39-40-36(43-35)30-16-6-14-28-26-12-2-4-18-32(26)42(34(28)30)24-10-8-20-38-22-24/h1-52H;1-44H;1-24H;1-22H
InChIKeySAUOPNHMZQFBFR-UHFFFAOYSA-N
MW3414.02 g/mol
LogP59.17
Rot. Bonds26

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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole

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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole (PubChem CID 160782832) has the molecular formula C234H142N26O2S2 and a molecular weight of 3414.02 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;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole
PubChem CID160782832
Molecular FormulaC234H142N26O2S2
Molecular Weight3414.02 g/mol
Exact Mass3411.13
IUPAC Name2,5-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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nnc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)s4)c32)cc1.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.c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7nnc(-c8ccc9c%10ccccc%10n(-c%10ccc(-c%11nc(-c%12ccc%13ccccc%13c%12)c%12ccccc%12n%11)cc%10)c9c8)o7)cc65)cc4)nc4ccccc34)ccc2c1.c1cncc(-n2c3ccccc3c3cccc(-c4nnc(-c5cccc6c7ccccc7n(-c7cccnc7)c56)s4)c32)c1
InChIInChI=1S/C86H52N8O.C74H44N8O.C38H24N4S.C36H22N6S/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;1-3-15-49-41-51(27-25-45(49)13-1)69-61-19-5-9-21-63(61)75-71(77-69)47-29-35-55(36-30-47)81-65-23-11-7-17-57(65)59-39-33-53(43-67(59)81)73-79-80-74(83-73)54-34-40-60-58-18-8-12-24-66(58)82(68(60)44-54)56-37-31-48(32-38-56)72-76-64-22-10-6-20-62(64)70(78-72)52-28-26-46-14-2-4-16-50(46)42-52;1-3-13-25(14-4-1)41-33-23-9-7-17-27(33)29-19-11-21-31(35(29)41)37-39-40-38(43-37)32-22-12-20-30-28-18-8-10-24-34(28)42(36(30)32)26-15-5-2-6-16-26;1-3-17-31-25(11-1)27-13-5-15-29(33(27)41(31)23-9-7-19-37-21-23)35-39-40-36(43-35)30-16-6-14-28-26-12-2-4-18-32(26)42(34(28)30)24-10-8-20-38-22-24/h1-52H;1-44H;1-24H;1-22H
InChIKeySAUOPNHMZQFBFR-UHFFFAOYSA-N
XLogP59.17
TPSA297.74 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003414.02
LogP ≤ 559.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole with MolForge

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Related Compounds

CID 157799194
CID 157799194
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-(1,1-Difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine
CID 159077625
2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole;9-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]carbazole
CID 160130312
5-(4-Tert-butylphenyl)-3-[2-[3-[1-[3-(4,7-diphenyl-1,10-phenanthrolin-1-ium-1-yl)phenyl]benzimidazol-2-yl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-ium
CID 91238558
2,5-Bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122593851
2,5-Bis[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122593852
2,5-Bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122593854
2,5-Bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122593856
2,5-Bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122593859
2,5-Bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122594127
2-Methyl-5-[5,5,21,21-tetramethyl-19-(5-methyl-1,3,4-oxadiazol-2-yl)-12-[5,5,21,21-tetramethyl-3,19-di(pyrimidin-2-yl)-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaen-12-yl]-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaen-3-yl]-1,3,4-oxadiazole
CID 146431270

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;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole?
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;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole (CID 160782832) is 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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole.
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;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole?
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;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole is c1ccc(-n2c3ccccc3c3cccc(-c4nnc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)s4)c32)cc1.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.c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7nnc(-c8ccc9c%10ccccc%10n(-c%10ccc(-c%11nc(-c%12ccc%13ccccc%13c%12)c%12ccccc%12n%11)cc%10)c9c8)o7)cc65)cc4)nc4ccccc34)ccc2c1.c1cncc(-n2c3ccccc3c3cccc(-c4nnc(-c5cccc6c7ccccc7n(-c7cccnc7)c56)s4)c32)c1.
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;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole?
The InChIKey is SAUOPNHMZQFBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N8O.C74H44N8O.C38H24N4S.C36H22N6S/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;1-3-15-49-41-51(27-25-45(49)13-1)69-61-19-5-9-21-63(61)75-71(77-69)47-29-35-55(36-30-47)81-65-23-11-7-17-57(65)59-39-33-53(43-67(59)81)73-79-80-74(83-73)54-34-40-60-58-18-8-12-24-66(58)82(68(60)44-54)56-37-31-48(32-38-56)72-76-64-22-10-6-20-62(64)70(78-72)52-28-26-46-14-2-4-16-50(46)42-52;1-3-13-25(14-4-1)41-33-23-9-7-17-27(33)29-19-11-21-31(35(29)41)37-39-40-38(43-37)32-22-12-20-30-28-18-8-10-24-34(28)42(36(30)32)26-15-5-2-6-16-26;1-3-17-31-25(11-1)27-13-5-15-29(33(27)41(31)23-9-7-19-37-21-23)35-39-40-36(43-35)30-16-6-14-28-26-12-2-4-18-32(26)42(34(28)30)24-10-8-20-38-22-24/h1-52H;1-44H;1-24H;1-22H.
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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole?
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-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole has a molecular weight of 3414.02 g/mol, XLogP of 59.17, 26 rotatable bonds, 0 hydrogen bond donors, and 30 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;2,5-bis[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis(9-phenylcarbazol-1-yl)-1,3,4-thiadiazole;2,5-bis(9-pyridin-3-ylcarbazol-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 160782832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).