2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

C128H77N9S6 — CID 167608350

IUPAC2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc2-c2cc3ccccc3cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc2c1
InChIInChI=1S/C46H29N3S2.C45H27N3S2.C37H21N3S2/c1-46(2)35-25-28(21-22-29(35)34-23-26-11-3-4-12-27(26)24-36(34)46)43-47-44(32-15-9-19-39-41(32)30-13-5-7-17-37(30)50-39)49-45(48-43)33-16-10-20-40-42(33)31-14-6-8-18-38(31)51-40;1-3-13-28(14-4-1)30-25-31(29-15-5-2-6-16-29)27-32(26-30)43-46-44(35-19-11-23-39-41(35)33-17-7-9-21-37(33)49-39)48-45(47-43)36-20-12-24-40-42(36)34-18-8-10-22-38(34)50-40;1-2-8-23-19-24(14-13-22(23)7-1)35-38-36(25-15-17-33-29(20-25)27-9-3-5-11-31(27)41-33)40-37(39-35)26-16-18-34-30(21-26)28-10-4-6-12-32(28)42-34/h3-25H,1-2H3;1-27H;1-21H
InChIKeyKRQBKSWVLNKUEE-UHFFFAOYSA-N
MW1933.49 g/mol
LogP36.77
Rot. Bonds11

About 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 167608350) has the molecular formula C128H77N9S6 and a molecular weight of 1933.49 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID167608350
Molecular FormulaC128H77N9S6
Molecular Weight1933.49 g/mol
Exact Mass1931.46
IUPAC Name2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc2-c2cc3ccccc3cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc2c1
InChIInChI=1S/C46H29N3S2.C45H27N3S2.C37H21N3S2/c1-46(2)35-25-28(21-22-29(35)34-23-26-11-3-4-12-27(26)24-36(34)46)43-47-44(32-15-9-19-39-41(32)30-13-5-7-17-37(30)50-39)49-45(48-43)33-16-10-20-40-42(33)31-14-6-8-18-38(31)51-40;1-3-13-28(14-4-1)30-25-31(29-15-5-2-6-16-29)27-32(26-30)43-46-44(35-19-11-23-39-41(35)33-17-7-9-21-37(33)49-39)48-45(47-43)36-20-12-24-40-42(36)34-18-8-10-22-38(34)50-40;1-2-8-23-19-24(14-13-22(23)7-1)35-38-36(25-15-17-33-29(20-25)27-9-3-5-11-31(27)41-33)40-37(39-35)26-16-18-34-30(21-26)28-10-4-6-12-32(28)42-34/h3-25H,1-2H3;1-27H;1-21H
InChIKeyKRQBKSWVLNKUEE-UHFFFAOYSA-N
XLogP36.77
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001933.49
LogP ≤ 536.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167672147
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
2-chloro-4,6-di(dibenzothiophen-1-yl)-1,3,5-triazine;2-chloro-4,6-di(dibenzothiophen-2-yl)-1,3,5-triazine;2-chloro-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163650468
2,4-di(dibenzofuran-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 163701360
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-6-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-phenylpyrimidine
CID 171582838
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;bis(2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine);bis(2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine)
CID 160935440
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-[2-[8-(4-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 134199147
2,4-di(dibenzofuran-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165090742
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-dibenzothiophen-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176793925
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 167608350) is 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc2-c2cc3ccccc3cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc2c1.
What is the InChIKey of 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is KRQBKSWVLNKUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S2.C45H27N3S2.C37H21N3S2/c1-46(2)35-25-28(21-22-29(35)34-23-26-11-3-4-12-27(26)24-36(34)46)43-47-44(32-15-9-19-39-41(32)30-13-5-7-17-37(30)50-39)49-45(48-43)33-16-10-20-40-42(33)31-14-6-8-18-38(31)51-40;1-3-13-28(14-4-1)30-25-31(29-15-5-2-6-16-29)27-32(26-30)43-46-44(35-19-11-23-39-41(35)33-17-7-9-21-37(33)49-39)48-45(47-43)36-20-12-24-40-42(36)34-18-8-10-22-38(34)50-40;1-2-8-23-19-24(14-13-22(23)7-1)35-38-36(25-15-17-33-29(20-25)27-9-3-5-11-31(27)41-33)40-37(39-35)26-16-18-34-30(21-26)28-10-4-6-12-32(28)42-34/h3-25H,1-2H3;1-27H;1-21H.
What are the key properties of 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 1933.49 g/mol, XLogP of 36.77, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 167608350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).