2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C297H187N33S6 — CID 161391160

IUPAC2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc(-c4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5c4sc4ccccc45)cc3)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C54H34N6S.C50H32N4S.C49H31N5S.3C48H30N6S/c1-5-16-36(17-6-1)49-55-50(37-18-7-2-8-19-37)58-53(57-49)40-30-28-35(29-31-40)47-43(32-33-45-44-26-13-14-27-46(44)61-48(45)47)41-24-15-25-42(34-41)54-59-51(38-20-9-3-10-21-38)56-52(60-54)39-22-11-4-12-23-39;1-4-12-34(13-5-1)43-30-31-44(54-53-43)36-24-26-38(27-25-36)48-40(28-29-42-41-18-10-11-19-47(41)55-49(42)48)33-20-22-37(23-21-33)46-32-45(35-14-6-2-7-15-35)51-50(52-46)39-16-8-3-9-17-39;1-5-15-33(16-6-1)41-31-42(51-46(50-41)35-17-7-2-8-18-35)34-27-25-32(26-28-34)38-29-30-40-39-23-13-14-24-43(39)55-45(40)44(38)49-53-47(36-19-9-3-10-20-36)52-48(54-49)37-21-11-4-12-22-37;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-15-24-35(30-36)37-28-29-39-38-26-13-14-27-40(38)55-42(39)41(37)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-15-24-35(30-36)41-39(29-28-38-37-26-13-14-27-40(37)55-42(38)41)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34;1-5-15-32(16-6-1)43-49-44(33-17-7-2-8-18-33)51-47(50-43)36-27-25-31(26-28-36)37-29-30-39-38-23-13-14-24-40(38)55-42(39)41(37)48-53-45(34-19-9-3-10-20-34)52-46(54-48)35-21-11-4-12-22-35/h1-34H;1-32H;1-31H;3*1-30H
InChIKeyVSZTYTFLNSUFDB-UHFFFAOYSA-N
MW4410.40 g/mol
LogP76.04
Rot. Bonds43

About 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 161391160) has the molecular formula C297H187N33S6 and a molecular weight of 4410.40 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID161391160
Molecular FormulaC297H187N33S6
Molecular Weight4410.40 g/mol
Exact Mass4406.40
IUPAC Name2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc(-c4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5c4sc4ccccc45)cc3)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C54H34N6S.C50H32N4S.C49H31N5S.3C48H30N6S/c1-5-16-36(17-6-1)49-55-50(37-18-7-2-8-19-37)58-53(57-49)40-30-28-35(29-31-40)47-43(32-33-45-44-26-13-14-27-46(44)61-48(45)47)41-24-15-25-42(34-41)54-59-51(38-20-9-3-10-21-38)56-52(60-54)39-22-11-4-12-23-39;1-4-12-34(13-5-1)43-30-31-44(54-53-43)36-24-26-38(27-25-36)48-40(28-29-42-41-18-10-11-19-47(41)55-49(42)48)33-20-22-37(23-21-33)46-32-45(35-14-6-2-7-15-35)51-50(52-46)39-16-8-3-9-17-39;1-5-15-33(16-6-1)41-31-42(51-46(50-41)35-17-7-2-8-18-35)34-27-25-32(26-28-34)38-29-30-40-39-23-13-14-24-43(39)55-45(40)44(38)49-53-47(36-19-9-3-10-20-36)52-48(54-49)37-21-11-4-12-22-37;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-15-24-35(30-36)37-28-29-39-38-26-13-14-27-40(38)55-42(39)41(37)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-15-24-35(30-36)41-39(29-28-38-37-26-13-14-27-40(37)55-42(38)41)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34;1-5-15-32(16-6-1)43-49-44(33-17-7-2-8-18-33)51-47(50-43)36-27-25-31(26-28-36)37-29-30-39-38-23-13-14-24-40(38)55-42(39)41(37)48-53-45(34-19-9-3-10-20-34)52-46(54-48)35-21-11-4-12-22-35/h1-34H;1-32H;1-31H;3*1-30H
InChIKeyVSZTYTFLNSUFDB-UHFFFAOYSA-N
XLogP76.04
TPSA425.37 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds43
Heavy Atoms336
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004410.40
LogP ≤ 576.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 166695366
4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]benzonitrile
CID 139381762
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzothiophen-3-yl]pyrimidine
CID 142491094
(1Z,3Z)-1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine
CID 142453273
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile
CID 139381470
2-(3-phenanthren-3-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146766875
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 142491145
2-[2-(2-dibenzothiophen-4-ylphenyl)-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174268135
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 153301922
2-phenyl-4-[8-(4-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744157
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442256

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 161391160) is 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc(-c4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5c4sc4ccccc45)cc3)nn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(sc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VSZTYTFLNSUFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6S.C50H32N4S.C49H31N5S.3C48H30N6S/c1-5-16-36(17-6-1)49-55-50(37-18-7-2-8-19-37)58-53(57-49)40-30-28-35(29-31-40)47-43(32-33-45-44-26-13-14-27-46(44)61-48(45)47)41-24-15-25-42(34-41)54-59-51(38-20-9-3-10-21-38)56-52(60-54)39-22-11-4-12-23-39;1-4-12-34(13-5-1)43-30-31-44(54-53-43)36-24-26-38(27-25-36)48-40(28-29-42-41-18-10-11-19-47(41)55-49(42)48)33-20-22-37(23-21-33)46-32-45(35-14-6-2-7-15-35)51-50(52-46)39-16-8-3-9-17-39;1-5-15-33(16-6-1)41-31-42(51-46(50-41)35-17-7-2-8-18-35)34-27-25-32(26-28-34)38-29-30-40-39-23-13-14-24-43(39)55-45(40)44(38)49-53-47(36-19-9-3-10-20-36)52-48(54-49)37-21-11-4-12-22-37;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-15-24-35(30-36)37-28-29-39-38-26-13-14-27-40(38)55-42(39)41(37)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34;1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-25-15-24-35(30-36)41-39(29-28-38-37-26-13-14-27-40(37)55-42(38)41)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34;1-5-15-32(16-6-1)43-49-44(33-17-7-2-8-18-33)51-47(50-43)36-27-25-31(26-28-36)37-29-30-39-38-23-13-14-24-40(38)55-42(39)41(37)48-53-45(34-19-9-3-10-20-34)52-46(54-48)35-21-11-4-12-22-35/h1-34H;1-32H;1-31H;3*1-30H.
What are the key properties of 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 4410.40 g/mol, XLogP of 76.04, 43 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161391160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).