About 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline (PubChem CID 157421815) has the molecular formula C279H222N20O5
and a molecular weight of 3934.98 g/mol. Its IUPAC name is 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline.
Frequently Asked Questions
What is the IUPAC name of 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
The IUPAC name of 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline (CID 157421815) is 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline.
What is the SMILES notation for 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
The canonical SMILES for 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline is C/C=C\C(=C/C)C1=NC(c2ccc3c(c2)Oc2cc(-c4cccc5ncccc45)ccc2C32c3ccccc3-c3ccccc32)N=C(c2ccccc2)N1.C1=CC2C=CC=C(c3nc(-c4ccccc4)nc(-c4ccc5c(c4)OC4=CC(C6=CCCc7cccnc76)CC=C4C54c5ccccc5-c5ccccc54)n3)C2C=C1.C=C/C(=C\C=C\c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc3c(c2)Oc2cc(-c4cccc5cccnc45)ccc2C3(c2ccccc2)c2ccccc2)n1)C1=CCCC=C1.C=C/C=C\C(=C)/C(N)=N/C(=N\Cc1ccc2c(c1)Oc1cc(-c3cccc(-c4cccc5cccnc45)c3)ccc1C21c2ccccc2-c2ccccc21)C1=CCCC=C1.CC.CC.CC.[H]/N=C(\N=C(\N=C\c1ccccc1)c1ccccc1)C(/C)=C/C=C\Cc1ccc2c(c1)OC1=CC(C3=CCCc4cccnc43)CC=C1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
The InChIKey is BPMOHQVGMSIANH-RCBMQLEYSA-N. The full InChI is InChI=1S/C61H44N4O.C55H44N4O.C55H42N4O.C53H38N4O.C49H36N4O.3C2H6/c1-2-42(43-18-7-3-8-19-43)22-16-30-57-63-59(47-33-31-45(32-34-47)44-20-9-4-10-21-44)65-60(64-57)49-36-38-54-56(41-49)66-55-40-48(52-29-15-23-46-24-17-39-62-58(46)52)35-37-53(55)61(54,50-25-11-5-12-26-50)51-27-13-6-14-28-51;1-37(53(56)59-54(41-20-6-3-7-21-41)58-36-39-18-4-2-5-19-39)16-8-9-17-38-29-31-48-50(34-38)60-51-35-42(43-26-14-22-40-23-15-33-57-52(40)43)30-32-49(51)55(48)46-27-12-10-24-44(46)45-25-11-13-28-47(45)55;1-3-4-15-36(2)53(56)59-54(39-16-6-5-7-17-39)58-35-37-27-29-48-50(32-37)60-51-34-41(40-19-12-20-42(33-40)43-24-13-18-38-21-14-31-57-52(38)43)28-30-49(51)55(48)46-25-10-8-22-44(46)45-23-9-11-26-47(45)55;1-2-14-35(15-3-1)50-55-51(57-52(56-50)42-23-10-16-33-13-4-5-19-38(33)42)37-27-29-46-48(32-37)58-47-31-36(39-22-11-17-34-18-12-30-54-49(34)39)26-28-45(47)53(46)43-24-8-6-20-40(43)41-21-7-9-25-44(41)53;1-3-14-31(4-2)46-51-47(32-15-6-5-7-16-32)53-48(52-46)34-25-27-42-45(30-34)54-44-29-33(35-19-12-23-43-38(35)20-13-28-50-43)24-26-41(44)49(42)39-21-10-8-17-36(39)37-18-9-11-22-40(37)49;3*1-2/h2,4-7,9-41H,1,3,8H2;2-13,15-16,18-21,23-29,31-36,42,56H,14,17,22,30H2,1H3;3-4,6,8-34H,1-2,5,7,35H2,(H2,56,58,59);1-10,12-16,18-25,27-33,36,38H,11,17,26H2;3-30,48H,1-2H3,(H,51,52,53);3*1-2H3/b30-16+,42-22+;9-8-,37-16+,56-53-,58-36+,59-54-;15-4-;;14-3-,31-4+;;;.
What are the key properties of 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline?
8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline has a molecular weight of 3934.98 g/mol, XLogP of 65.98, 34 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(4a,8a-dihydronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[2,3-dihydroxanthene-9,9'-fluorene]-3-yl]-5,6-dihydroquinoline;N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide;N-benzylidene-N'-[(2E,4Z)-6-[6-(5,6-dihydroquinolin-8-yl)spiro[6,7-dihydroxanthene-9,9'-fluorene]-3-yl]-2-methylhexa-2,4-dienimidoyl]benzenecarboximidamide;8-[6-[4-[(1E,3E)-4-cyclohexa-1,5-dien-1-ylhexa-1,3,5-trienyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-diphenylxanthen-3-yl]quinoline;ethane;5-[6'-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline is sourced from PubChem (CID 157421815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).