2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine

C302H174N18O4S7 — CID 157280281

IUPAC2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESC1=Cc2ccc3c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)ccc4c3c2C(=CC4)C1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4sc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4sc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccc(-c6ccc7c(ccc8c9ccccc9ccc78)c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/2C51H29N3OS.C51H29N3S2.C51H31N3S.C49H29N3OS.C49H27N3OS/c1-2-12-31(13-3-1)49-52-50(33-22-25-39-38-17-8-9-19-44(38)55-45(39)28-33)54-51(53-49)40-18-10-20-47-48(40)43-27-32(23-26-46(43)56-47)41-29-42-34-14-5-4-11-30(34)21-24-37(42)35-15-6-7-16-36(35)41;1-2-12-31(13-3-1)49-52-50(33-22-25-45-42(28-33)38-17-8-9-19-44(38)55-45)54-51(53-49)39-18-10-20-47-48(39)43-27-32(23-26-46(43)56-47)40-29-41-34-14-5-4-11-30(34)21-24-37(41)35-15-6-7-16-36(35)40;1-2-11-31(12-3-1)49-52-50(40-15-8-18-45-47(40)39-14-6-7-17-43(39)55-45)54-51(53-49)41-16-9-19-46-48(41)42-29-33(23-27-44(42)56-46)32-21-24-36-34(28-32)22-26-37-35-13-5-4-10-30(35)20-25-38(36)37;1-3-14-32(15-4-1)36-18-7-12-23-42(36)50-52-49(33-16-5-2-6-17-33)53-51(54-50)43-24-13-25-47-48(43)45-31-35(27-29-46(45)55-47)34-26-28-41-39-21-9-8-19-37(39)38-20-10-11-22-40(38)44(41)30-34;1-2-9-31(10-3-1)47-50-48(52-49(51-47)37-15-8-18-42-46(37)35-13-4-5-17-41(35)54-42)36-14-7-16-40-45(36)38-27-32(23-26-39(38)53-40)33-24-21-30-20-19-28-11-6-12-29-22-25-34(33)44(30)43(28)29;1-2-11-28(12-3-1)47-50-48(52-49(51-47)39-20-9-18-37-33-15-6-7-21-41(33)53-46(37)39)38-19-10-22-43-45(38)40-27-29(23-26-42(40)54-43)30-24-25-36-32-14-5-4-13-31(32)35-17-8-16-34(30)44(35)36/h3*1-29H;1-31H;1-10,12-19,21-27H,11,20H2;1-27H
InChIKeyAZOUMJSVNVHEEO-UHFFFAOYSA-N
MW4343.30 g/mol
LogP84.23
Rot. Bonds25

About 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine

2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine (PubChem CID 157280281) has the molecular formula C302H174N18O4S7 and a molecular weight of 4343.30 g/mol. Its IUPAC name is 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
PubChem CID157280281
Molecular FormulaC302H174N18O4S7
Molecular Weight4343.30 g/mol
Exact Mass4339.20
IUPAC Name2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESC1=Cc2ccc3c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)ccc4c3c2C(=CC4)C1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4sc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4sc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccc(-c6ccc7c(ccc8c9ccccc9ccc78)c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/2C51H29N3OS.C51H29N3S2.C51H31N3S.C49H29N3OS.C49H27N3OS/c1-2-12-31(13-3-1)49-52-50(33-22-25-39-38-17-8-9-19-44(38)55-45(39)28-33)54-51(53-49)40-18-10-20-47-48(40)43-27-32(23-26-46(43)56-47)41-29-42-34-14-5-4-11-30(34)21-24-37(42)35-15-6-7-16-36(35)41;1-2-12-31(13-3-1)49-52-50(33-22-25-45-42(28-33)38-17-8-9-19-44(38)55-45)54-51(53-49)39-18-10-20-47-48(39)43-27-32(23-26-46(43)56-47)40-29-41-34-14-5-4-11-30(34)21-24-37(41)35-15-6-7-16-36(35)40;1-2-11-31(12-3-1)49-52-50(40-15-8-18-45-47(40)39-14-6-7-17-43(39)55-45)54-51(53-49)41-16-9-19-46-48(41)42-29-33(23-27-44(42)56-46)32-21-24-36-34(28-32)22-26-37-35-13-5-4-10-30(35)20-25-38(36)37;1-3-14-32(15-4-1)36-18-7-12-23-42(36)50-52-49(33-16-5-2-6-17-33)53-51(54-50)43-24-13-25-47-48(43)45-31-35(27-29-46(45)55-47)34-26-28-41-39-21-9-8-19-37(39)38-20-10-11-22-40(38)44(41)30-34;1-2-9-31(10-3-1)47-50-48(52-49(51-47)37-15-8-18-42-46(37)35-13-4-5-17-41(35)54-42)36-14-7-16-40-45(36)38-27-32(23-26-39(38)53-40)33-24-21-30-20-19-28-11-6-12-29-22-25-34(33)44(30)43(28)29;1-2-11-28(12-3-1)47-50-48(52-49(51-47)39-20-9-18-37-33-15-6-7-21-41(33)53-46(37)39)38-19-10-22-43-45(38)40-27-29(23-26-42(40)54-43)30-24-25-36-32-14-5-4-13-31(32)35-17-8-16-34(30)44(35)36/h3*1-29H;1-31H;1-10,12-19,21-27H,11,20H2;1-27H
InChIKeyAZOUMJSVNVHEEO-UHFFFAOYSA-N
XLogP84.23
TPSA284.58 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004343.30
LogP ≤ 584.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-3-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 134198685
2-dibenzothiophen-1-yl-4-[8-(8,10-dihydropyren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166007762
2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 159241289
2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 155470980
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159756068
2-[2-[8-(9,10-dihydrophenanthren-2-yl)dibenzofuran-1-yl]phenyl]-4-[8-[9-[4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 155470912
2-dibenzofuran-1-yl-4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-[8-(4-phenanthren-2-ylphenyl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 160563404
2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 155471007
2-[8-(3,3a,4,6-tetrahydropyren-1-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 140946708
2-dibenzothiophen-1-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198930
2,4-dinaphthalen-1-yl-6-[8-(5-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-[9-(3-naphthalen-2-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 164978875
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584

Frequently Asked Questions

What is the IUPAC name of 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine (CID 157280281) is 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine is C1=Cc2ccc3c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)ccc4c3c2C(=CC4)C1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4sc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4sc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4sc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccc(-c6ccc7c(ccc8c9ccccc9ccc78)c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.
What is the InChIKey of 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The InChIKey is AZOUMJSVNVHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H29N3OS.C51H29N3S2.C51H31N3S.C49H29N3OS.C49H27N3OS/c1-2-12-31(13-3-1)49-52-50(33-22-25-39-38-17-8-9-19-44(38)55-45(39)28-33)54-51(53-49)40-18-10-20-47-48(40)43-27-32(23-26-46(43)56-47)41-29-42-34-14-5-4-11-30(34)21-24-37(42)35-15-6-7-16-36(35)41;1-2-12-31(13-3-1)49-52-50(33-22-25-45-42(28-33)38-17-8-9-19-44(38)55-45)54-51(53-49)39-18-10-20-47-48(39)43-27-32(23-26-46(43)56-47)40-29-41-34-14-5-4-11-30(34)21-24-37(41)35-15-6-7-16-36(35)40;1-2-11-31(12-3-1)49-52-50(40-15-8-18-45-47(40)39-14-6-7-17-43(39)55-45)54-51(53-49)41-16-9-19-46-48(41)42-29-33(23-27-44(42)56-46)32-21-24-36-34(28-32)22-26-37-35-13-5-4-10-30(35)20-25-38(36)37;1-3-14-32(15-4-1)36-18-7-12-23-42(36)50-52-49(33-16-5-2-6-17-33)53-51(54-50)43-24-13-25-47-48(43)45-31-35(27-29-46(45)55-47)34-26-28-41-39-21-9-8-19-37(39)38-20-10-11-22-40(38)44(41)30-34;1-2-9-31(10-3-1)47-50-48(52-49(51-47)37-15-8-18-42-46(37)35-13-4-5-17-41(35)54-42)36-14-7-16-40-45(36)38-27-32(23-26-39(38)53-40)33-24-21-30-20-19-28-11-6-12-29-22-25-34(33)44(30)43(28)29;1-2-11-28(12-3-1)47-50-48(52-49(51-47)39-20-9-18-37-33-15-6-7-21-41(33)53-46(37)39)38-19-10-22-43-45(38)40-27-29(23-26-42(40)54-43)30-24-25-36-32-14-5-4-13-31(32)35-17-8-16-34(30)44(35)36/h3*1-29H;1-31H;1-10,12-19,21-27H,11,20H2;1-27H.
What are the key properties of 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine has a molecular weight of 4343.30 g/mol, XLogP of 84.23, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 157280281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).