2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C272H178N16OS8 — CID 163633816

IUPAC2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4sc5ccccc5c34)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c(c5)sc5ccc(-c7ccccc7)cc56)c5c(c4)sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3S2.C48H31N3OS.C48H33N3S.C43H30N2S.C42H29N3S.C40H24N2S2/c1-4-12-32(13-5-1)34-20-22-36(23-21-34)50-52-49(35-16-8-3-9-17-35)53-51(54-50)39-29-42(48-41-18-10-11-19-44(41)56-47(48)31-39)38-24-26-40-43-28-37(33-14-6-2-7-15-33)25-27-45(43)55-46(40)30-38;1-48(2)38-20-9-6-15-31(38)32-24-23-29(26-39(32)48)37-25-30(27-42-43(37)35-17-8-11-22-41(35)53-42)46-49-45(28-13-4-3-5-14-28)50-47(51-46)36-19-12-18-34-33-16-7-10-21-40(33)52-44(34)36;1-48(2)40-22-11-9-20-36(40)37-25-24-33(28-41(37)48)39-27-35(29-43-44(39)38-21-10-12-23-42(38)52-43)32-18-13-19-34(26-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;1-43(2)35-19-11-9-17-31(35)32-22-21-29(24-36(32)43)34-23-30(25-40-41(34)33-18-10-12-20-39(33)46-40)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28;1-42(2)34-19-11-9-17-30(34)31-22-21-28(24-35(31)42)33-23-29(25-37-38(33)32-18-10-12-20-36(32)46-37)41-44-39(26-13-5-3-6-14-26)43-40(45-41)27-15-7-4-8-16-27;1-3-12-25(13-4-1)32-24-33(26-14-5-2-6-15-26)42-40(41-32)27-22-31(39-30-17-8-10-20-35(30)44-37(39)23-27)28-18-11-21-36-38(28)29-16-7-9-19-34(29)43-36/h1-31H;3-27H,1-2H3;3-29H,1-2H3;3-26H,1-2H3;3-25H,1-2H3;1-24H
InChIKeyHYJDMOMMGRAIQD-UHFFFAOYSA-N
MW3943.06 g/mol
LogP75.52
Rot. Bonds27

About 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163633816) has the molecular formula C272H178N16OS8 and a molecular weight of 3943.06 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID163633816
Molecular FormulaC272H178N16OS8
Molecular Weight3943.06 g/mol
Exact Mass3939.21
IUPAC Name2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4sc5ccccc5c34)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c(c5)sc5ccc(-c7ccccc7)cc56)c5c(c4)sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3S2.C48H31N3OS.C48H33N3S.C43H30N2S.C42H29N3S.C40H24N2S2/c1-4-12-32(13-5-1)34-20-22-36(23-21-34)50-52-49(35-16-8-3-9-17-35)53-51(54-50)39-29-42(48-41-18-10-11-19-44(41)56-47(48)31-39)38-24-26-40-43-28-37(33-14-6-2-7-15-33)25-27-45(43)55-46(40)30-38;1-48(2)38-20-9-6-15-31(38)32-24-23-29(26-39(32)48)37-25-30(27-42-43(37)35-17-8-11-22-41(35)53-42)46-49-45(28-13-4-3-5-14-28)50-47(51-46)36-19-12-18-34-33-16-7-10-21-40(33)52-44(34)36;1-48(2)40-22-11-9-20-36(40)37-25-24-33(28-41(37)48)39-27-35(29-43-44(39)38-21-10-12-23-42(38)52-43)32-18-13-19-34(26-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;1-43(2)35-19-11-9-17-31(35)32-22-21-29(24-36(32)43)34-23-30(25-40-41(34)33-18-10-12-20-39(33)46-40)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28;1-42(2)34-19-11-9-17-30(34)31-22-21-28(24-35(31)42)33-23-29(25-37-38(33)32-18-10-12-20-36(32)46-37)41-44-39(26-13-5-3-6-14-26)43-40(45-41)27-15-7-4-8-16-27;1-3-12-25(13-4-1)32-24-33(26-14-5-2-6-15-26)42-40(41-32)27-22-31(39-30-17-8-10-20-35(30)44-37(39)23-27)28-18-11-21-36-38(28)29-16-7-9-19-34(29)43-36/h1-31H;3-27H,1-2H3;3-29H,1-2H3;3-26H,1-2H3;3-25H,1-2H3;1-24H
InChIKeyHYJDMOMMGRAIQD-UHFFFAOYSA-N
XLogP75.52
TPSA219.38 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003943.06
LogP ≤ 575.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 163970281
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidine
CID 171583556
2-dibenzofuran-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585439
2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 162775350
2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167197027
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-dibenzothiophen-2-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
CID 171583925
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine;2-(3-dibenzothiophen-3-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-phenyl-4,6-bis(6-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157115619
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 163633816) is 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4sc5ccccc5c34)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c(c5)sc5ccc(-c7ccccc7)cc56)c5c(c4)sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is HYJDMOMMGRAIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S2.C48H31N3OS.C48H33N3S.C43H30N2S.C42H29N3S.C40H24N2S2/c1-4-12-32(13-5-1)34-20-22-36(23-21-34)50-52-49(35-16-8-3-9-17-35)53-51(54-50)39-29-42(48-41-18-10-11-19-44(41)56-47(48)31-39)38-24-26-40-43-28-37(33-14-6-2-7-15-33)25-27-45(43)55-46(40)30-38;1-48(2)38-20-9-6-15-31(38)32-24-23-29(26-39(32)48)37-25-30(27-42-43(37)35-17-8-11-22-41(35)53-42)46-49-45(28-13-4-3-5-14-28)50-47(51-46)36-19-12-18-34-33-16-7-10-21-40(33)52-44(34)36;1-48(2)40-22-11-9-20-36(40)37-25-24-33(28-41(37)48)39-27-35(29-43-44(39)38-21-10-12-23-42(38)52-43)32-18-13-19-34(26-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;1-43(2)35-19-11-9-17-31(35)32-22-21-29(24-36(32)43)34-23-30(25-40-41(34)33-18-10-12-20-39(33)46-40)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28;1-42(2)34-19-11-9-17-30(34)31-22-21-28(24-35(31)42)33-23-29(25-37-38(33)32-18-10-12-20-36(32)46-37)41-44-39(26-13-5-3-6-14-26)43-40(45-41)27-15-7-4-8-16-27;1-3-12-25(13-4-1)32-24-33(26-14-5-2-6-15-26)42-40(41-32)27-22-31(39-30-17-8-10-20-35(30)44-37(39)23-27)28-18-11-21-36-38(28)29-16-7-9-19-34(29)43-36/h1-31H;3-27H,1-2H3;3-29H,1-2H3;3-26H,1-2H3;3-25H,1-2H3;1-24H.
What are the key properties of 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 3943.06 g/mol, XLogP of 75.52, 27 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine;2-(1-dibenzothiophen-1-yldibenzothiophen-3-yl)-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[1-(8-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163633816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).