[2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)

C416H259N39O2S8 — CID 159553405

IUPAC[2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1.O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5ccnc5)cc4)nc(-c4ccc(-n5ccnc5)cc4)n3)cc21.O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)n2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21.c1csc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5nc(-c6cccs6)nc(-c6cccs6)n5)ccc3-4)nc(-c3cccs3)n2)c1.c1csc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5nc(-c6cccs6)nc(-c6cccs6)n5)ccc3-4)nc(-c3cccs3)n2)c1
InChIInChI=1S/C59H37N7O.C54H38N4.C53H33N3O.C52H31N5.2C52H34N4.2C47H26N6S4/c67-55(40-16-14-39(15-17-40)38-8-2-1-3-9-38)43-22-28-49-47-10-4-6-12-51(47)59(53(49)34-43)52-13-7-5-11-48(52)50-29-23-44(35-54(50)59)58-63-56(41-18-24-45(25-19-41)65-32-30-60-36-65)62-57(64-58)42-20-26-46(27-21-42)66-33-31-61-37-66;1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38;57-49(36-26-24-35(25-27-36)34-14-4-1-5-15-34)39-28-30-43-41-20-10-12-22-45(41)53(47(43)32-39)46-23-13-11-21-42(46)44-31-29-40(33-48(44)53)52-55-50(37-16-6-2-7-17-37)54-51(56-52)38-18-8-3-9-19-38;1-8-22-41-33(15-1)34-16-2-9-23-42(34)52(41)43-24-10-3-17-35(43)36-30-29-32(31-44(36)52)49-53-50(56-45-25-11-4-18-37(45)38-19-5-12-26-46(38)56)55-51(54-49)57-47-27-13-6-20-39(47)40-21-7-14-28-48(40)57;2*1-5-17-35(18-6-1)49-53-50(36-19-7-2-8-20-36)55-51(54-49)37-29-31-43-44-32-30-40(56(38-21-9-3-10-22-38)39-23-11-4-12-24-39)34-48(44)52(47(43)33-37)45-27-15-13-25-41(45)42-26-14-16-28-46(42)52;2*1-3-11-33-29(9-1)30-10-2-4-12-34(30)47(33)35-25-27(41-48-43(37-13-5-21-54-37)52-44(49-41)38-14-6-22-55-38)17-19-31(35)32-20-18-28(26-36(32)47)42-50-45(39-15-7-23-56-39)53-46(51-42)40-16-8-24-57-40/h1-37H;3-34H,1-2H3;1-33H;1-31H;2*1-34H;2*1-26H
InChIKeyMFRKYDHVVSWPMH-UHFFFAOYSA-N
MW6092.46 g/mol
LogP100.65
Rot. Bonds47

About [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)

[2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine) (PubChem CID 159553405) has the molecular formula C416H259N39O2S8 and a molecular weight of 6092.46 g/mol. Its IUPAC name is [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine).

Molecular Properties

Compound Name[2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)
PubChem CID159553405
Molecular FormulaC416H259N39O2S8
Molecular Weight6092.46 g/mol
Exact Mass6086.91
IUPAC Name[2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1.O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5ccnc5)cc4)nc(-c4ccc(-n5ccnc5)cc4)n3)cc21.O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)n2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21.c1csc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5nc(-c6cccs6)nc(-c6cccs6)n5)ccc3-4)nc(-c3cccs3)n2)c1.c1csc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5nc(-c6cccs6)nc(-c6cccs6)n5)ccc3-4)nc(-c3cccs3)n2)c1
InChIInChI=1S/C59H37N7O.C54H38N4.C53H33N3O.C52H31N5.2C52H34N4.2C47H26N6S4/c67-55(40-16-14-39(15-17-40)38-8-2-1-3-9-38)43-22-28-49-47-10-4-6-12-51(47)59(53(49)34-43)52-13-7-5-11-48(52)50-29-23-44(35-54(50)59)58-63-56(41-18-24-45(25-19-41)65-32-30-60-36-65)62-57(64-58)42-20-26-46(27-21-42)66-33-31-61-37-66;1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38;57-49(36-26-24-35(25-27-36)34-14-4-1-5-15-34)39-28-30-43-41-20-10-12-22-45(41)53(47(43)32-39)46-23-13-11-21-42(46)44-31-29-40(33-48(44)53)52-55-50(37-16-6-2-7-17-37)54-51(56-52)38-18-8-3-9-19-38;1-8-22-41-33(15-1)34-16-2-9-23-42(34)52(41)43-24-10-3-17-35(43)36-30-29-32(31-44(36)52)49-53-50(56-45-25-11-4-18-37(45)38-19-5-12-26-46(38)56)55-51(54-49)57-47-27-13-6-20-39(47)40-21-7-14-28-48(40)57;2*1-5-17-35(18-6-1)49-53-50(36-19-7-2-8-20-36)55-51(54-49)37-29-31-43-44-32-30-40(56(38-21-9-3-10-22-38)39-23-11-4-12-24-39)34-48(44)52(47(43)33-37)45-27-15-13-25-41(45)42-26-14-16-28-46(42)52;2*1-3-11-33-29(9-1)30-10-2-4-12-34(30)47(33)35-25-27(41-48-43(37-13-5-21-54-37)52-44(49-41)38-14-6-22-55-38)17-19-31(35)32-20-18-28(26-36(32)47)42-50-45(39-15-7-23-56-39)53-46(51-42)40-16-8-24-57-40/h1-37H;3-34H,1-2H3;1-33H;1-31H;2*1-34H;2*1-26H
InChIKeyMFRKYDHVVSWPMH-UHFFFAOYSA-N
XLogP100.65
TPSA476.06 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds47
Heavy Atoms465
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006092.46
LogP ≤ 5100.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine) with MolForge

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Related Compounds

2-[[5-[8-(3,5-ditert-butylphenyl)-4-methyl-5,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl]thieno[3,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;2-[[4-methyl-8-(3,4,5-trimethylphenyl)-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(8-naphthalen-1-yl-3,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;(2E)-2-[[5-[8-(4-propan-2-ylphenyl)-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl]thieno[3,2-b]thiophen-2-yl]methylidene]-5-(trifluoromethyl)indene-1,3-dione
CID 159994873
2-[[4,4-Dimethyl-9-(2-phenylphenyl)-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-9-pyren-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[9-(3-hexylthiophen-2-yl)-4,4-dimethyl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-isocyano-2,6-dimethylphenyl)-4,4-dimethyl-9-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione
CID 160369729
2-[[9-(2,4-Dimethylnaphthalen-1-yl)-4,4-dimethyl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-9-quinolin-4-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-9-[5-(trifluoromethyl)-2-pyridinyl]-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione;2-[[4,4-dimethyl-6-(2,4,6-trimethylphenyl)-9-(2,4,6-trimethylpyrimidin-5-yl)thieno[2,3-b]quinolin-2-yl]methylidene]indene-1,3-dione
CID 160614063
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167608506
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167693185
[9-[10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-5-(2-phenylcarbazol-9-yl)-1,17-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-16-yl]-13,13-dimethyl-1,4-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaen-16-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 123857873
5-[4-[2-([1]Benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-2-[[5-[2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-methylindeno[1,2-c]carbazol-12-yl]methyl]-[1]benzothiolo[3,2-c]carbazole
CID 156354892
CID 157136927
CID 157136927
Bis(9,9'-spirobi[fluorene]-2-yl)methanone;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;2,6-di(dibenzothiophen-4-yl)pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 157142613
2-Phenyl-5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole;9-pyridin-2-yl-3-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyridin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyrimidin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
CID 157153682
11,12-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 157158741
4,20-Bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
CID 157208374

Frequently Asked Questions

What is the IUPAC name of [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)?
The IUPAC name of [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine) (CID 159553405) is [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine).
What is the SMILES notation for [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)?
The canonical SMILES for [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine) is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1.O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5ccnc5)cc4)nc(-c4ccc(-n5ccnc5)cc4)n3)cc21.O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)n2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21.c1csc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5nc(-c6cccs6)nc(-c6cccs6)n5)ccc3-4)nc(-c3cccs3)n2)c1.c1csc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5nc(-c6cccs6)nc(-c6cccs6)n5)ccc3-4)nc(-c3cccs3)n2)c1.
What is the InChIKey of [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)?
The InChIKey is MFRKYDHVVSWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N7O.C54H38N4.C53H33N3O.C52H31N5.2C52H34N4.2C47H26N6S4/c67-55(40-16-14-39(15-17-40)38-8-2-1-3-9-38)43-22-28-49-47-10-4-6-12-51(47)59(53(49)34-43)52-13-7-5-11-48(52)50-29-23-44(35-54(50)59)58-63-56(41-18-24-45(25-19-41)65-32-30-60-36-65)62-57(64-58)42-20-26-46(27-21-42)66-33-31-61-37-66;1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38;57-49(36-26-24-35(25-27-36)34-14-4-1-5-15-34)39-28-30-43-41-20-10-12-22-45(41)53(47(43)32-39)46-23-13-11-21-42(46)44-31-29-40(33-48(44)53)52-55-50(37-16-6-2-7-17-37)54-51(56-52)38-18-8-3-9-19-38;1-8-22-41-33(15-1)34-16-2-9-23-42(34)52(41)43-24-10-3-17-35(43)36-30-29-32(31-44(36)52)49-53-50(56-45-25-11-4-18-37(45)38-19-5-12-26-46(38)56)55-51(54-49)57-47-27-13-6-20-39(47)40-21-7-14-28-48(40)57;2*1-5-17-35(18-6-1)49-53-50(36-19-7-2-8-20-36)55-51(54-49)37-29-31-43-44-32-30-40(56(38-21-9-3-10-22-38)39-23-11-4-12-24-39)34-48(44)52(47(43)33-37)45-27-15-13-25-41(45)42-26-14-16-28-46(42)52;2*1-3-11-33-29(9-1)30-10-2-4-12-34(30)47(33)35-25-27(41-48-43(37-13-5-21-54-37)52-44(49-41)38-14-6-22-55-38)17-19-31(35)32-20-18-28(26-36(32)47)42-50-45(39-15-7-23-56-39)53-46(51-42)40-16-8-24-57-40/h1-37H;3-34H,1-2H3;1-33H;1-31H;2*1-34H;2*1-26H.
What are the key properties of [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine)?
[2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine) has a molecular weight of 6092.46 g/mol, XLogP of 100.65, 47 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,6-bis(4-imidazol-1-ylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;9-[4-carbazol-9-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine;bis(7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine);[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-(4-phenylphenyl)methanone;bis(2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine) is sourced from PubChem (CID 159553405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).