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

C78H46Cl3N9S4 — CID 163650468

IUPAC2-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc21.Clc1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1.Clc1nc(-c2cccc3sc4ccccc4c23)nc(-c2cccc3sc4ccccc4c23)n1
InChIInChI=1S/2C27H14ClN3S2.C24H18ClN3/c28-27-30-25(17-9-5-13-21-23(17)15-7-1-3-11-19(15)32-21)29-26(31-27)18-10-6-14-22-24(18)16-8-2-4-12-20(16)33-22;28-27-30-25(15-9-11-23-19(13-15)17-5-1-3-7-21(17)32-23)29-26(31-27)16-10-12-24-20(14-16)18-6-2-4-8-22(18)33-24;1-24(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)24)22-26-21(27-23(25)28-22)15-8-4-3-5-9-15/h2*1-14H;3-14H,1-2H3
InChIKeyILUZEQBTBCNFNV-UHFFFAOYSA-N
MW1343.92 g/mol
LogP23.35
Rot. Bonds6

About 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

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 (PubChem CID 163650468) has the molecular formula C78H46Cl3N9S4 and a molecular weight of 1343.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID163650468
Molecular FormulaC78H46Cl3N9S4
Molecular Weight1343.92 g/mol
Exact Mass1341.18
IUPAC Name2-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc21.Clc1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1.Clc1nc(-c2cccc3sc4ccccc4c23)nc(-c2cccc3sc4ccccc4c23)n1
InChIInChI=1S/2C27H14ClN3S2.C24H18ClN3/c28-27-30-25(17-9-5-13-21-23(17)15-7-1-3-11-19(15)32-21)29-26(31-27)18-10-6-14-22-24(18)16-8-2-4-12-20(16)33-22;28-27-30-25(15-9-11-23-19(13-15)17-5-1-3-7-21(17)32-23)29-26(31-27)16-10-12-24-20(14-16)18-6-2-4-8-22(18)33-24;1-24(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)24)22-26-21(27-23(25)28-22)15-8-4-3-5-9-15/h2*1-14H;3-14H,1-2H3
InChIKeyILUZEQBTBCNFNV-UHFFFAOYSA-N
XLogP23.35
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.92
LogP ≤ 523.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-[2-[8-(4-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 134199147
2-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 154624618
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
2,4-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
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
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003181
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
4-(9,9-dimethylfluoren-2-yl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142519507
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491338

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc21.Clc1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1.Clc1nc(-c2cccc3sc4ccccc4c23)nc(-c2cccc3sc4ccccc4c23)n1.
What is the InChIKey of 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?
The InChIKey is ILUZEQBTBCNFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H14ClN3S2.C24H18ClN3/c28-27-30-25(17-9-5-13-21-23(17)15-7-1-3-11-19(15)32-21)29-26(31-27)18-10-6-14-22-24(18)16-8-2-4-12-20(16)33-22;28-27-30-25(15-9-11-23-19(13-15)17-5-1-3-7-21(17)32-23)29-26(31-27)16-10-12-24-20(14-16)18-6-2-4-8-22(18)33-24;1-24(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)24)22-26-21(27-23(25)28-22)15-8-4-3-5-9-15/h2*1-14H;3-14H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1343.92 g/mol, XLogP of 23.35, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163650468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).