8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole

C165H106N16S4 — CID 160824152

IUPAC8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc4ccc5nc(-c6ccccc6)sc5c4c3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)c3)n2)cc1
InChIInChI=1S/C47H32N4S.C42H26N4S.2C38H24N4S/c1-47(2)38-21-13-12-20-35(38)41-37(45-50-43(30-14-6-3-7-15-30)49-44(51-45)31-16-8-4-9-17-31)27-34(28-39(41)47)33-23-22-29-24-25-40-42(36(29)26-33)52-46(48-40)32-18-10-5-11-19-32;1-4-12-28(13-5-1)39-44-40(29-14-6-2-7-15-29)46-41(45-39)35-24-23-32(33-18-10-11-19-34(33)35)31-21-20-27-22-25-37-38(36(27)26-31)47-42(43-37)30-16-8-3-9-17-30;1-4-11-26(12-5-1)35-40-36(27-13-6-2-7-14-27)42-37(41-35)31-18-10-17-29(23-31)30-20-19-25-21-22-33-34(32(25)24-30)43-38(39-33)28-15-8-3-9-16-28;1-4-10-27(11-5-1)35-40-36(28-12-6-2-7-13-28)42-37(41-35)29-19-16-25(17-20-29)31-21-18-26-22-23-33-34(32(26)24-31)43-38(39-33)30-14-8-3-9-15-30/h3-28H,1-2H3;1-26H;2*1-24H
InChIKeySFYCBVNXCLOJQT-UHFFFAOYSA-N
MW2441.04 g/mol
LogP43.34
Rot. Bonds20

About 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole (PubChem CID 160824152) has the molecular formula C165H106N16S4 and a molecular weight of 2441.04 g/mol. Its IUPAC name is 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole
PubChem CID160824152
Molecular FormulaC165H106N16S4
Molecular Weight2441.04 g/mol
Exact Mass2438.77
IUPAC Name8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc4ccc5nc(-c6ccccc6)sc5c4c3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)c3)n2)cc1
InChIInChI=1S/C47H32N4S.C42H26N4S.2C38H24N4S/c1-47(2)38-21-13-12-20-35(38)41-37(45-50-43(30-14-6-3-7-15-30)49-44(51-45)31-16-8-4-9-17-31)27-34(28-39(41)47)33-23-22-29-24-25-40-42(36(29)26-33)52-46(48-40)32-18-10-5-11-19-32;1-4-12-28(13-5-1)39-44-40(29-14-6-2-7-15-29)46-41(45-39)35-24-23-32(33-18-10-11-19-34(33)35)31-21-20-27-22-25-37-38(36(27)26-31)47-42(43-37)30-16-8-3-9-17-30;1-4-11-26(12-5-1)35-40-36(27-13-6-2-7-14-27)42-37(41-35)31-18-10-17-29(23-31)30-20-19-25-21-22-33-34(32(25)24-30)43-38(39-33)28-15-8-3-9-16-28;1-4-10-27(11-5-1)35-40-36(28-12-6-2-7-13-28)42-37(41-35)29-19-16-25(17-20-29)31-21-18-26-22-23-33-34(32(26)24-31)43-38(39-33)30-14-8-3-9-15-30/h3-28H,1-2H3;1-26H;2*1-24H
InChIKeySFYCBVNXCLOJQT-UHFFFAOYSA-N
XLogP43.34
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.04
LogP ≤ 543.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole with MolForge

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Related Compounds

10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole
CID 159176849
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 161349132
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-[6-(9,9-dimethyl-6-phenylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244928
2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3-(9,9-dimethyl-5,7-diphenylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)-5-pyridin-2-ylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165079383
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946763
2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828267
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828286
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
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-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole?
The IUPAC name of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole (CID 160824152) is 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole.
What is the SMILES notation for 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole?
The canonical SMILES for 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc4ccc5nc(-c6ccccc6)sc5c4c3)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccccc7)sc6c5c4)c3)n2)cc1.
What is the InChIKey of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole?
The InChIKey is SFYCBVNXCLOJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4S.C42H26N4S.2C38H24N4S/c1-47(2)38-21-13-12-20-35(38)41-37(45-50-43(30-14-6-3-7-15-30)49-44(51-45)31-16-8-4-9-17-31)27-34(28-39(41)47)33-23-22-29-24-25-40-42(36(29)26-33)52-46(48-40)32-18-10-5-11-19-32;1-4-12-28(13-5-1)39-44-40(29-14-6-2-7-15-29)46-41(45-39)35-24-23-32(33-18-10-11-19-34(33)35)31-21-20-27-22-25-37-38(36(27)26-31)47-42(43-37)30-16-8-3-9-17-30;1-4-11-26(12-5-1)35-40-36(27-13-6-2-7-14-27)42-37(41-35)31-18-10-17-29(23-31)30-20-19-25-21-22-33-34(32(25)24-30)43-38(39-33)28-15-8-3-9-16-28;1-4-10-27(11-5-1)35-40-36(28-12-6-2-7-13-28)42-37(41-35)29-19-16-25(17-20-29)31-21-18-26-22-23-33-34(32(26)24-31)43-38(39-33)30-14-8-3-9-15-30/h3-28H,1-2H3;1-26H;2*1-24H.
What are the key properties of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole?
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole has a molecular weight of 2441.04 g/mol, XLogP of 43.34, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole is sourced from PubChem (CID 160824152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).