2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline

C402H239N26O4+ — CID 157404452

IUPAC2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
SMILESc1ccc(-c2nc3cc(-c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6[nH]c7ccccc7[n+]6-c6ccccc6)cc5)nc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc45)cc3)nc3ccccc32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4nc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7o6)cc5)nc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7o6)cc5)c4c3)ccc21.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)nc2c1
InChIInChI=1S/C86H48N4O2.3C82H50N6.C70H40N4O2/c1-3-21-60-56(17-1)58-19-5-7-27-66(58)75-45-53(41-43-68(60)75)55-47-74(54-42-44-69-61-22-4-2-18-57(61)59-20-6-8-28-67(59)76(69)46-54)79-77(48-55)78(49-33-37-51(38-34-49)85-89-80-70-29-13-9-23-62(70)64-25-11-15-31-72(64)82(80)91-85)87-84(88-79)50-35-39-52(40-36-50)86-90-81-71-30-14-10-24-63(71)65-26-12-16-32-73(65)83(81)92-86;1-5-21-51(22-6-1)81-83-74-49-55(39-43-76(74)87(81)58-25-9-3-10-26-58)78-73-48-57(53-37-41-68-64-33-15-13-29-60(64)62-31-17-19-35-66(62)71(68)45-53)47-70(54-38-42-69-65-34-16-14-30-61(65)63-32-18-20-36-67(63)72(69)46-54)79(73)86-80(85-78)56-40-44-77-75(50-56)84-82(52-23-7-2-8-24-52)88(77)59-27-11-4-12-28-59;1-3-19-53(20-4-1)81-83-74-31-15-17-33-76(74)87(81)58-41-35-51(36-42-58)78-73-50-57(55-39-45-68-64-27-9-7-23-60(64)62-25-11-13-29-66(62)71(68)47-55)49-70(56-40-46-69-65-28-10-8-24-61(65)63-26-12-14-30-67(63)72(69)48-56)79(73)86-80(85-78)52-37-43-59(44-38-52)88-77-34-18-16-32-75(77)84-82(88)54-21-5-2-6-22-54;1-3-19-58(20-4-1)87-76-33-17-15-31-74(76)83-81(87)53-39-35-51(36-40-53)78-73-50-57(55-43-45-68-64-27-9-7-23-60(64)62-25-11-13-29-66(62)71(68)47-55)49-70(56-44-46-69-65-28-10-8-24-61(65)63-26-12-14-30-67(63)72(69)48-56)79(73)86-80(85-78)52-37-41-54(42-38-52)82-84-75-32-16-18-34-77(75)88(82)59-21-5-2-6-22-59;1-3-17-52-48(13-1)50-15-5-7-19-54(50)59-37-45(33-35-56(52)59)47-39-58(46-34-36-57-53-18-4-2-14-49(53)51-16-6-8-20-55(51)60(57)38-46)67-61(40-47)66(41-25-29-43(30-26-41)69-71-62-21-9-11-23-64(62)75-69)73-68(74-67)42-27-31-44(32-28-42)70-72-63-22-10-12-24-65(63)76-70/h1-48H;3*1-50H;1-40H/p+1
InChIKeyJQUIMZIANGKNMQ-UHFFFAOYSA-O
MW5497.51 g/mol
LogP105.39
Rot. Bonds36

About 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline

2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline (PubChem CID 157404452) has the molecular formula C402H239N26O4+ and a molecular weight of 5497.51 g/mol. Its IUPAC name is 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline.

Molecular Properties

Compound Name2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
PubChem CID157404452
Molecular FormulaC402H239N26O4+
Molecular Weight5497.51 g/mol
Exact Mass5492.93
IUPAC Name2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
SMILESc1ccc(-c2nc3cc(-c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6[nH]c7ccccc7[n+]6-c6ccccc6)cc5)nc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc45)cc3)nc3ccccc32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4nc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7o6)cc5)nc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7o6)cc5)c4c3)ccc21.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)nc2c1
InChIInChI=1S/C86H48N4O2.3C82H50N6.C70H40N4O2/c1-3-21-60-56(17-1)58-19-5-7-27-66(58)75-45-53(41-43-68(60)75)55-47-74(54-42-44-69-61-22-4-2-18-57(61)59-20-6-8-28-67(59)76(69)46-54)79-77(48-55)78(49-33-37-51(38-34-49)85-89-80-70-29-13-9-23-62(70)64-25-11-15-31-72(64)82(80)91-85)87-84(88-79)50-35-39-52(40-36-50)86-90-81-71-30-14-10-24-63(71)65-26-12-16-32-73(65)83(81)92-86;1-5-21-51(22-6-1)81-83-74-49-55(39-43-76(74)87(81)58-25-9-3-10-26-58)78-73-48-57(53-37-41-68-64-33-15-13-29-60(64)62-31-17-19-35-66(62)71(68)45-53)47-70(54-38-42-69-65-34-16-14-30-61(65)63-32-18-20-36-67(63)72(69)46-54)79(73)86-80(85-78)56-40-44-77-75(50-56)84-82(52-23-7-2-8-24-52)88(77)59-27-11-4-12-28-59;1-3-19-53(20-4-1)81-83-74-31-15-17-33-76(74)87(81)58-41-35-51(36-42-58)78-73-50-57(55-39-45-68-64-27-9-7-23-60(64)62-25-11-13-29-66(62)71(68)47-55)49-70(56-40-46-69-65-28-10-8-24-61(65)63-26-12-14-30-67(63)72(69)48-56)79(73)86-80(85-78)52-37-43-59(44-38-52)88-77-34-18-16-32-75(77)84-82(88)54-21-5-2-6-22-54;1-3-19-58(20-4-1)87-76-33-17-15-31-74(76)83-81(87)53-39-35-51(36-40-53)78-73-50-57(55-43-45-68-64-27-9-7-23-60(64)62-25-11-13-29-66(62)71(68)47-55)49-70(56-44-46-69-65-28-10-8-24-61(65)63-26-12-14-30-67(63)72(69)48-56)79(73)86-80(85-78)52-37-41-54(42-38-52)82-84-75-32-16-18-34-77(75)88(82)59-21-5-2-6-22-59;1-3-17-52-48(13-1)50-15-5-7-19-54(50)59-37-45(33-35-56(52)59)47-39-58(46-34-36-57-53-18-4-2-14-49(53)51-16-6-8-20-55(51)60(57)38-46)67-61(40-47)66(41-25-29-43(30-26-41)69-71-62-21-9-11-23-64(62)75-69)73-68(74-67)42-27-31-44(32-28-42)70-72-63-22-10-12-24-65(63)76-70/h1-48H;3*1-50H;1-40H/p+1
InChIKeyJQUIMZIANGKNMQ-UHFFFAOYSA-O
XLogP105.39
TPSA341.79 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms432
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005497.51
LogP ≤ 5105.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline with MolForge

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Related Compounds

4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
CID 164178758
CID 164178758
3-(dimethylamino)-N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]propanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3,3,3-trifluoropropanamide;(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-3-[(5-methyl-1,3-benzoxazol-2-yl)amino]heptane-1,4-dione;bis((3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-3-[(6-methyl-1,3-benzoxazol-2-yl)amino]heptane-1,4-dione);trans-(1S,2S)-N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 164178770
2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]benzoxazole
CID 102031933
38,42-Dimethoxy-4,22,41-trimethyl-39-oxa-8,18,34,37,41-pentazadecacyclo[23.8.4.12,6.17,10.19,13.116,19.120,24.028,36.031,35.017,40]dotetraconta-1(34),2(42),3,5,7,9,11,13(40),14,16,18,20,22,24(38),25(37),26,28(36),29,31(35),32-icosaene
CID 58060930
4,12-bis[3-[8-(1H-benzimidazol-2-yl)dibenzofuran-2-yl]carbazol-9-yl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58501557
2-[4-[1-[4-(4,6-Dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzimidazol-2-yl]phenyl]-1,3-benzoxazole
CID 89738172
2-[4-[1-[4-[4,6-Di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzimidazol-2-yl]phenyl]-1,3-benzoxazole
CID 89738173
2-[4-[6,8-Di(phenanthren-9-yl)-2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
CID 117850490
2-[4-[6,8-Dinaphthalen-2-yl-2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
CID 117850516
2-[4-[6,8-Dinaphthalen-1-yl-2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
CID 117850544
2-[4-[2-(4-Phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-bis(4-phenylphenyl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
CID 117850570

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline?
The IUPAC name of 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline (CID 157404452) is 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline.
What is the SMILES notation for 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline?
The canonical SMILES for 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline is c1ccc(-c2nc3cc(-c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4nc(-c5ccc(-c6[nH]c7ccccc7[n+]6-c6ccccc6)cc5)nc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc45)cc3)nc3ccccc32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4nc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7o6)cc5)nc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7o6)cc5)c4c3)ccc21.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)nc2c1.
What is the InChIKey of 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline?
The InChIKey is JQUIMZIANGKNMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C86H48N4O2.3C82H50N6.C70H40N4O2/c1-3-21-60-56(17-1)58-19-5-7-27-66(58)75-45-53(41-43-68(60)75)55-47-74(54-42-44-69-61-22-4-2-18-57(61)59-20-6-8-28-67(59)76(69)46-54)79-77(48-55)78(49-33-37-51(38-34-49)85-89-80-70-29-13-9-23-62(70)64-25-11-15-31-72(64)82(80)91-85)87-84(88-79)50-35-39-52(40-36-50)86-90-81-71-30-14-10-24-63(71)65-26-12-16-32-73(65)83(81)92-86;1-5-21-51(22-6-1)81-83-74-49-55(39-43-76(74)87(81)58-25-9-3-10-26-58)78-73-48-57(53-37-41-68-64-33-15-13-29-60(64)62-31-17-19-35-66(62)71(68)45-53)47-70(54-38-42-69-65-34-16-14-30-61(65)63-32-18-20-36-67(63)72(69)46-54)79(73)86-80(85-78)56-40-44-77-75(50-56)84-82(52-23-7-2-8-24-52)88(77)59-27-11-4-12-28-59;1-3-19-53(20-4-1)81-83-74-31-15-17-33-76(74)87(81)58-41-35-51(36-42-58)78-73-50-57(55-39-45-68-64-27-9-7-23-60(64)62-25-11-13-29-66(62)71(68)47-55)49-70(56-40-46-69-65-28-10-8-24-61(65)63-26-12-14-30-67(63)72(69)48-56)79(73)86-80(85-78)52-37-43-59(44-38-52)88-77-34-18-16-32-75(77)84-82(88)54-21-5-2-6-22-54;1-3-19-58(20-4-1)87-76-33-17-15-31-74(76)83-81(87)53-39-35-51(36-40-53)78-73-50-57(55-43-45-68-64-27-9-7-23-60(64)62-25-11-13-29-66(62)71(68)47-55)49-70(56-44-46-69-65-28-10-8-24-61(65)63-26-12-14-30-67(63)72(69)48-56)79(73)86-80(85-78)52-37-41-54(42-38-52)82-84-75-32-16-18-34-77(75)88(82)59-21-5-2-6-22-59;1-3-17-52-48(13-1)50-15-5-7-19-54(50)59-37-45(33-35-56(52)59)47-39-58(46-34-36-57-53-18-4-2-14-49(53)51-16-6-8-20-55(51)60(57)38-46)67-61(40-47)66(41-25-29-43(30-26-41)69-71-62-21-9-11-23-64(62)75-69)73-68(74-67)42-27-31-44(32-28-42)70-72-63-22-10-12-24-65(63)76-70/h1-48H;3*1-50H;1-40H/p+1.
What are the key properties of 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline?
2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline has a molecular weight of 5497.51 g/mol, XLogP of 105.39, 36 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline is sourced from PubChem (CID 157404452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).