About 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole
4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole (PubChem CID 157128427) has the molecular formula C329H214N24S
and a molecular weight of 4535.57 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole.
Analyze 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole with MolForge
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What is the IUPAC name of 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole?
The IUPAC name of 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole (CID 157128427) is 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole.
What is the SMILES notation for 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole?
The canonical SMILES for 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole is C1=CC2C(C3=Cc4c(c5ccccc5n4-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)CC3)=Cc3c(n(-c4ccccc4)c4ccccc34)C2C=C1.C=C(/C=C\c1cn(-c2nc(-c3cccc4c3sc3ccccc34)c3ccccc3n2)c2ccccc12)C(=C)c1ccccc1-c1cc2ccccc2n1-c1ccccc1.CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7ccccc67)cc54)nc4ccccc34)cc21.c1cc(-c2cccc3ccccc23)cc(-c2nc(-n3c4ccccc4c4ccccc43)nc3ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7cc8ccccc8c8ccccc78)c7ccccc7n6)c5c4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7cccc8ccccc78)c7ccccc7n6)c5c4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole?
The InChIKey is AITTZOULTORBSG-NENCTLHHSA-N. The full InChI is InChI=1S/C57H38N4.C56H34N4.C54H36N4S.C52H32N4.C52H36N4.C36H23N3.C22H15N/c1-57(2)48-24-12-8-19-39(48)40-30-29-36(32-49(40)57)54-45-23-9-13-25-50(45)58-56(59-54)61-52-27-15-10-20-41(52)43-31-28-35(33-53(43)61)46-34-47-42-21-11-14-26-51(42)60(37-16-4-3-5-17-37)55(47)44-22-7-6-18-38(44)46;1-2-17-37(18-3-1)59-51-28-14-12-24-43(51)49-34-47(41-22-8-9-25-45(41)55(49)59)36-30-31-44-42-23-11-15-29-52(42)60(53(44)33-36)56-57-50-27-13-10-26-46(50)54(58-56)48-32-35-16-4-5-19-38(35)39-20-6-7-21-40(39)48;1-35(36(2)40-20-7-8-22-42(40)50-33-37-17-6-13-28-48(37)58(50)39-18-4-3-5-19-39)31-32-38-34-57(49-29-14-10-21-41(38)49)54-55-47-27-12-9-24-45(47)52(56-54)46-26-16-25-44-43-23-11-15-30-51(43)59-53(44)46;1-2-17-35(18-3-1)55-47-27-12-10-22-39(47)45-32-44(37-20-6-7-23-42(37)51(45)55)34-29-30-40-38-21-9-13-28-48(38)56(49(40)31-34)52-53-46-26-11-8-24-43(46)50(54-52)41-25-14-16-33-15-4-5-19-36(33)41;1-2-16-37(17-3-1)55-47-24-12-10-20-40(47)45-32-44(38-18-6-7-21-42(38)51(45)55)35-28-29-41-39-19-9-13-25-48(39)56(49(41)31-35)52-53-46-23-11-8-22-43(46)50(54-52)36-27-26-33-14-4-5-15-34(33)30-36;1-2-15-27-24(11-1)12-10-19-28(27)25-13-9-14-26(23-25)35-31-18-3-6-20-32(31)37-36(38-35)39-33-21-7-4-16-29(33)30-17-5-8-22-34(30)39;1-2-9-17(10-3-1)23-21-13-7-6-12-19(21)20-15-14-16-8-4-5-11-18(16)22(20)23/h3-34H,1-2H3;1-34H;3-34H,1-2H2;1-32H;1-27,30-32,38,42H,28-29H2;1-23H;1-15H/b;;32-31-;;;;.
What are the key properties of 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole?
4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole has a molecular weight of 4535.57 g/mol, XLogP of 84.94, 28 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole is sourced from PubChem (CID 157128427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).