2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C374H301N19 — CID 165012414

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2cc(-c3ccncc3)cc(-c3cccnc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.c1ccc(-c2ccc3c(c2)-c2ccc(-c4cc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc2C32C3CC4CC(C3)CC2C4)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c3)n2)cc1
InChIInChI=1S/C65H49N3.C58H47N3.C52H43N.C51H42N2.2C50H41N3.C48H38N4/c1-4-12-43(13-5-1)51-27-29-60-59(39-51)58-28-26-52(40-61(58)65(60)56-31-41-30-42(33-56)34-57(65)32-41)54-36-53(46-22-20-45(21-23-46)50-25-24-44-14-10-11-19-49(44)35-50)37-55(38-54)64-67-62(47-15-6-2-7-16-47)66-63(68-64)48-17-8-3-9-18-48;1-57(2)50-19-11-9-17-46(50)48-23-21-39(33-52(48)57)41-30-42(32-43(31-41)56-60-54(37-13-5-3-6-14-37)59-55(61-56)38-15-7-4-8-16-38)40-22-24-49-47-18-10-12-20-51(47)58(53(49)34-40)44-26-35-25-36(28-44)29-45(58)27-35;1-33-22-41(29-42(23-33)50-32-40(37-14-7-3-8-15-37)31-49(53-50)38-16-9-4-10-17-38)45-18-11-19-47-46-21-20-39(36-12-5-2-6-13-36)30-48(46)52(51(45)47)43-25-34-24-35(27-43)28-44(52)26-34;1-32-22-39(29-40(23-32)48-31-47(36-14-7-3-8-15-36)52-50(53-48)37-16-9-4-10-17-37)43-18-11-19-45-44-21-20-38(35-12-5-2-6-13-35)30-46(44)51(49(43)45)41-25-33-24-34(27-41)28-42(51)26-33;1-31-22-38(29-39(23-31)49-52-47(35-14-7-3-8-15-35)51-48(53-49)36-16-9-4-10-17-36)42-18-11-19-44-43-21-20-37(34-12-5-2-6-13-34)30-45(43)50(46(42)44)40-25-32-24-33(27-40)28-41(50)26-32;1-31-19-39(26-40(20-31)48-29-38(35-14-17-51-18-15-35)28-47(53-48)37-9-6-16-52-30-37)43-10-5-11-45-44-13-12-36(34-7-3-2-4-8-34)27-46(44)50(49(43)45)41-22-32-21-33(24-41)25-42(50)23-32;1-3-10-32(11-4-1)45-50-46(33-12-5-2-6-13-33)52-47(51-45)38-26-36(25-37(27-38)35-14-9-19-49-29-35)34-17-18-42-41-15-7-8-16-43(41)48(44(42)28-34)39-21-30-20-31(23-39)24-40(48)22-30/h1-29,35-42,56-57H,30-34H2;3-24,30-36,44-45H,25-29H2,1-2H3;2-23,29-32,34-35,43-44H,24-28H2,1H3;2-23,29-31,33-34,41-42H,24-28H2,1H3;2-23,29-30,32-33,40-41H,24-28H2,1H3;2-20,26-30,32-33,41-42H,21-25H2,1H3;1-19,25-31,39-40H,20-24H2
InChIKeyJXEBNOWRPOHUQQ-UHFFFAOYSA-N
MW5061.65 g/mol
LogP92.74
Rot. Bonds37

About 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165012414) has the molecular formula C374H301N19 and a molecular weight of 5061.65 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165012414
Molecular FormulaC374H301N19
Molecular Weight5061.65 g/mol
Exact Mass5057.41
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2cc(-c3ccncc3)cc(-c3cccnc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.c1ccc(-c2ccc3c(c2)-c2ccc(-c4cc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc2C32C3CC4CC(C3)CC2C4)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c3)n2)cc1
InChIInChI=1S/C65H49N3.C58H47N3.C52H43N.C51H42N2.2C50H41N3.C48H38N4/c1-4-12-43(13-5-1)51-27-29-60-59(39-51)58-28-26-52(40-61(58)65(60)56-31-41-30-42(33-56)34-57(65)32-41)54-36-53(46-22-20-45(21-23-46)50-25-24-44-14-10-11-19-49(44)35-50)37-55(38-54)64-67-62(47-15-6-2-7-16-47)66-63(68-64)48-17-8-3-9-18-48;1-57(2)50-19-11-9-17-46(50)48-23-21-39(33-52(48)57)41-30-42(32-43(31-41)56-60-54(37-13-5-3-6-14-37)59-55(61-56)38-15-7-4-8-16-38)40-22-24-49-47-18-10-12-20-51(47)58(53(49)34-40)44-26-35-25-36(28-44)29-45(58)27-35;1-33-22-41(29-42(23-33)50-32-40(37-14-7-3-8-15-37)31-49(53-50)38-16-9-4-10-17-38)45-18-11-19-47-46-21-20-39(36-12-5-2-6-13-36)30-48(46)52(51(45)47)43-25-34-24-35(27-43)28-44(52)26-34;1-32-22-39(29-40(23-32)48-31-47(36-14-7-3-8-15-36)52-50(53-48)37-16-9-4-10-17-37)43-18-11-19-45-44-21-20-38(35-12-5-2-6-13-35)30-46(44)51(49(43)45)41-25-33-24-34(27-41)28-42(51)26-33;1-31-22-38(29-39(23-31)49-52-47(35-14-7-3-8-15-35)51-48(53-49)36-16-9-4-10-17-36)42-18-11-19-44-43-21-20-37(34-12-5-2-6-13-34)30-45(43)50(46(42)44)40-25-32-24-33(27-40)28-41(50)26-32;1-31-19-39(26-40(20-31)48-29-38(35-14-17-51-18-15-35)28-47(53-48)37-9-6-16-52-30-37)43-10-5-11-45-44-13-12-36(34-7-3-2-4-8-34)27-46(44)50(49(43)45)41-22-32-21-33(24-41)25-42(50)23-32;1-3-10-32(11-4-1)45-50-46(33-12-5-2-6-13-33)52-47(51-45)38-26-36(25-37(27-38)35-14-9-19-49-29-35)34-17-18-42-41-15-7-8-16-43(41)48(44(42)28-34)39-21-30-20-31(23-39)24-40(48)22-30/h1-29,35-42,56-57H,30-34H2;3-24,30-36,44-45H,25-29H2,1-2H3;2-23,29-32,34-35,43-44H,24-28H2,1H3;2-23,29-31,33-34,41-42H,24-28H2,1H3;2-23,29-30,32-33,40-41H,24-28H2,1H3;2-20,26-30,32-33,41-42H,21-25H2,1H3;1-19,25-31,39-40H,20-24H2
InChIKeyJXEBNOWRPOHUQQ-UHFFFAOYSA-N
XLogP92.74
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms393
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005061.65
LogP ≤ 592.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine
CID 164811683
2-[6'-(9,9-dimethylfluoren-1-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168803520
2-[3-(4-methylphenyl)-5-(6'-pyridin-4-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 153175333
2-[3-(4-methylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 147428060
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
7-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(3-pyridin-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline
CID 169294598
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-spiro[adamantane-2,9'-fluorene]-2'-yl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-spiro[adamantane-2,9'-fluorene]-2'-yl-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylpyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 165101737
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146633236
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
2-[3-(4-methylphenyl)-5-(6'-pyridin-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 164811699
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 165012414) is 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2cc(-c3ccncc3)cc(-c3cccnc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.c1ccc(-c2ccc3c(c2)-c2ccc(-c4cc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc2C32C3CC4CC(C3)CC2C4)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c3)n2)cc1.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JXEBNOWRPOHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49N3.C58H47N3.C52H43N.C51H42N2.2C50H41N3.C48H38N4/c1-4-12-43(13-5-1)51-27-29-60-59(39-51)58-28-26-52(40-61(58)65(60)56-31-41-30-42(33-56)34-57(65)32-41)54-36-53(46-22-20-45(21-23-46)50-25-24-44-14-10-11-19-49(44)35-50)37-55(38-54)64-67-62(47-15-6-2-7-16-47)66-63(68-64)48-17-8-3-9-18-48;1-57(2)50-19-11-9-17-46(50)48-23-21-39(33-52(48)57)41-30-42(32-43(31-41)56-60-54(37-13-5-3-6-14-37)59-55(61-56)38-15-7-4-8-16-38)40-22-24-49-47-18-10-12-20-51(47)58(53(49)34-40)44-26-35-25-36(28-44)29-45(58)27-35;1-33-22-41(29-42(23-33)50-32-40(37-14-7-3-8-15-37)31-49(53-50)38-16-9-4-10-17-38)45-18-11-19-47-46-21-20-39(36-12-5-2-6-13-36)30-48(46)52(51(45)47)43-25-34-24-35(27-43)28-44(52)26-34;1-32-22-39(29-40(23-32)48-31-47(36-14-7-3-8-15-36)52-50(53-48)37-16-9-4-10-17-37)43-18-11-19-45-44-21-20-38(35-12-5-2-6-13-35)30-46(44)51(49(43)45)41-25-33-24-34(27-41)28-42(51)26-33;1-31-22-38(29-39(23-31)49-52-47(35-14-7-3-8-15-35)51-48(53-49)36-16-9-4-10-17-36)42-18-11-19-44-43-21-20-37(34-12-5-2-6-13-34)30-45(43)50(46(42)44)40-25-32-24-33(27-40)28-41(50)26-32;1-31-19-39(26-40(20-31)48-29-38(35-14-17-51-18-15-35)28-47(53-48)37-9-6-16-52-30-37)43-10-5-11-45-44-13-12-36(34-7-3-2-4-8-34)27-46(44)50(49(43)45)41-22-32-21-33(24-41)25-42(50)23-32;1-3-10-32(11-4-1)45-50-46(33-12-5-2-6-13-33)52-47(51-45)38-26-36(25-37(27-38)35-14-9-19-49-29-35)34-17-18-42-41-15-7-8-16-43(41)48(44(42)28-34)39-21-30-20-31(23-39)24-40(48)22-30/h1-29,35-42,56-57H,30-34H2;3-24,30-36,44-45H,25-29H2,1-2H3;2-23,29-32,34-35,43-44H,24-28H2,1H3;2-23,29-31,33-34,41-42H,24-28H2,1H3;2-23,29-30,32-33,40-41H,24-28H2,1H3;2-20,26-30,32-33,41-42H,21-25H2,1H3;1-19,25-31,39-40H,20-24H2.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 5061.65 g/mol, XLogP of 92.74, 37 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165012414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).