2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline

C181H112F10N24O4 — CID 160528858

IUPAC2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
SMILESCOc1cc(OC)nc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C3(F)F)n1.COc1nc(OC)nc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C3(F)F)n1.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4cccnc34)ccc21.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nc4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C41H24F2N4.C37H22F2N4.C36H21F2N5.C34H23F2N5O2.C33H22F2N6O2/c42-41(43)34-21-19-27(37-31-17-8-7-15-29(31)30-16-9-10-18-36(30)44-37)23-32(34)33-24-28(20-22-35(33)41)40-46-38(25-11-3-1-4-12-25)45-39(47-40)26-13-5-2-6-14-26;38-37(39)31-18-16-26(28-15-7-13-23-14-8-20-40-33(23)28)21-29(31)30-22-27(17-19-32(30)37)36-42-34(24-9-3-1-4-10-24)41-35(43-36)25-11-5-2-6-12-25;37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23;1-42-28-19-29(43-2)38-32(37-28)22-13-15-26-24(17-22)25-18-23(14-16-27(25)34(26,35)36)33-40-30(20-9-5-3-6-10-20)39-31(41-33)21-11-7-4-8-12-21;1-42-31-39-30(40-32(41-31)43-2)22-14-16-26-24(18-22)23-17-21(13-15-25(23)33(26,34)35)29-37-27(19-9-5-3-6-10-19)36-28(38-29)20-11-7-4-8-12-20/h1-24H;1-22H;1-21H;3-19H,1-2H3;3-18H,1-2H3
InChIKeyQVGNXKICBIYCIQ-UHFFFAOYSA-N
MW2877.03 g/mol
LogP42.50
Rot. Bonds24

About 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline

2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline (PubChem CID 160528858) has the molecular formula C181H112F10N24O4 and a molecular weight of 2877.03 g/mol. Its IUPAC name is 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline.

Molecular Properties

Compound Name2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
PubChem CID160528858
Molecular FormulaC181H112F10N24O4
Molecular Weight2877.03 g/mol
Exact Mass2874.91
IUPAC Name2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
SMILESCOc1cc(OC)nc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C3(F)F)n1.COc1nc(OC)nc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C3(F)F)n1.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4cccnc34)ccc21.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nc4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C41H24F2N4.C37H22F2N4.C36H21F2N5.C34H23F2N5O2.C33H22F2N6O2/c42-41(43)34-21-19-27(37-31-17-8-7-15-29(31)30-16-9-10-18-36(30)44-37)23-32(34)33-24-28(20-22-35(33)41)40-46-38(25-11-3-1-4-12-25)45-39(47-40)26-13-5-2-6-14-26;38-37(39)31-18-16-26(28-15-7-13-23-14-8-20-40-33(23)28)21-29(31)30-22-27(17-19-32(30)37)36-42-34(24-9-3-1-4-10-24)41-35(43-36)25-11-5-2-6-12-25;37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23;1-42-28-19-29(43-2)38-32(37-28)22-13-15-26-24(17-22)25-18-23(14-16-27(25)34(26,35)36)33-40-30(20-9-5-3-6-10-20)39-31(41-33)21-11-7-4-8-12-21;1-42-31-39-30(40-32(41-31)43-2)22-14-16-26-24(18-22)23-17-21(13-15-25(23)33(26,34)35)29-37-27(19-9-5-3-6-10-19)36-28(38-29)20-11-7-4-8-12-20/h1-24H;1-22H;1-21H;3-19H,1-2H3;3-18H,1-2H3
InChIKeyQVGNXKICBIYCIQ-UHFFFAOYSA-N
XLogP42.50
TPSA346.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002877.03
LogP ≤ 542.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline with MolForge

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Related Compounds

[2-Cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide
CID 157308269
2-[9,9-Difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-triphenylen-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline
CID 157382054
2-(6-Anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;bis(2-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine);5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
CID 159375804
(2-Cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;methane;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-di(quinazolin-2-yl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide
CID 159598148
3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 159697420
2-[6-(4,6-Dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline;8-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-quinolin-8-ylphenyl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline
CID 160437450
(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile
CID 161097889
2-(9,9-Difluoro-7-triphenylen-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoline;8-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline
CID 161689174
2-[7-[7-[6-(6-Tert-butylnaphthalen-2-yl)naphthalen-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethylfluoren-2-yl]quinoline;1-[7-[9,9-dimethyl-7-[6-(7-methylnaphthalen-2-yl)naphthalen-2-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]isoquinoline;2-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]benzo[h]quinoline;5-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]quinoxaline;2-[7-[7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-1,8-naphthyridine
CID 161908213
2-[6-[6-(19-Hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;2-[5-[3-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)phenyl]naphthalen-2-yl]pyrimidine;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline
CID 157050797
1-N-(9,9-dimethylfluoren-4-yl)-6-N-(4-fluoroisoquinolin-3-yl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoroquinolin-2-yl)-6-N-phenylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrazin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-2-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinazolin-4-ylpyrene-1,6-diamine;1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-quinoxalin-2-ylpyrene-1,6-diamine
CID 157071911
2,4-Diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline
CID 157145812

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
The IUPAC name of 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline (CID 160528858) is 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline.
What is the SMILES notation for 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
The canonical SMILES for 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline is COc1cc(OC)nc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C3(F)F)n1.COc1nc(OC)nc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2C3(F)F)n1.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4cccnc34)ccc21.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nc4ccccc4c4ccccc34)ccc21.
What is the InChIKey of 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
The InChIKey is QVGNXKICBIYCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F2N4.C37H22F2N4.C36H21F2N5.C34H23F2N5O2.C33H22F2N6O2/c42-41(43)34-21-19-27(37-31-17-8-7-15-29(31)30-16-9-10-18-36(30)44-37)23-32(34)33-24-28(20-22-35(33)41)40-46-38(25-11-3-1-4-12-25)45-39(47-40)26-13-5-2-6-14-26;38-37(39)31-18-16-26(28-15-7-13-23-14-8-20-40-33(23)28)21-29(31)30-22-27(17-19-32(30)37)36-42-34(24-9-3-1-4-10-24)41-35(43-36)25-11-5-2-6-12-25;37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23;1-42-28-19-29(43-2)38-32(37-28)22-13-15-26-24(17-22)25-18-23(14-16-27(25)34(26,35)36)33-40-30(20-9-5-3-6-10-20)39-31(41-33)21-11-7-4-8-12-21;1-42-31-39-30(40-32(41-31)43-2)22-14-16-26-24(18-22)23-17-21(13-15-25(23)33(26,34)35)29-37-27(19-9-5-3-6-10-19)36-28(38-29)20-11-7-4-8-12-20/h1-24H;1-22H;1-21H;3-19H,1-2H3;3-18H,1-2H3.
What are the key properties of 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline?
2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline has a molecular weight of 2877.03 g/mol, XLogP of 42.50, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoline;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline is sourced from PubChem (CID 160528858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).