2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole

C46H27N5S2 — CID 146513232

IUPAC2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5c(-c7nc8ccccc8s7)cccc56)n4)c3c2)cc1
InChIInChI=1S/C46H27N5S2/c1-3-13-28(14-4-1)30-25-26-32-31-17-7-9-23-38(31)51(39(32)27-30)46-49-43(29-15-5-2-6-16-29)48-44(50-46)35-20-11-18-33-34-19-12-21-36(42(34)53-41(33)35)45-47-37-22-8-10-24-40(37)52-45/h1-27H
InChIKeyXTHMIKPEIMTDSK-UHFFFAOYSA-N
MW713.89 g/mol
LogP12.61
Rot. Bonds5

About 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole

2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole (PubChem CID 146513232) has the molecular formula C46H27N5S2 and a molecular weight of 713.89 g/mol. Its IUPAC name is 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
PubChem CID146513232
Molecular FormulaC46H27N5S2
Molecular Weight713.89 g/mol
Exact Mass713.17
IUPAC Name2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5c(-c7nc8ccccc8s7)cccc56)n4)c3c2)cc1
InChIInChI=1S/C46H27N5S2/c1-3-13-28(14-4-1)30-25-26-32-31-17-7-9-23-38(31)51(39(32)27-30)46-49-43(29-15-5-2-6-16-29)48-44(50-46)35-20-11-18-33-34-19-12-21-36(42(34)53-41(33)35)45-47-37-22-8-10-24-40(37)52-45/h1-27H
InChIKeyXTHMIKPEIMTDSK-UHFFFAOYSA-N
XLogP12.61
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.89
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
2-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513241
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756581
2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155329843
2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 147296316
2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 161177028
9-phenyl-2-[4-phenyl-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 155329903
2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164972347
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]-1,3-benzothiazole
CID 163541090
2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 145097430

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole (CID 146513232) is 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5c(-c7nc8ccccc8s7)cccc56)n4)c3c2)cc1.
What is the InChIKey of 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole?
The InChIKey is XTHMIKPEIMTDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5S2/c1-3-13-28(14-4-1)30-25-26-32-31-17-7-9-23-38(31)51(39(32)27-30)46-49-43(29-15-5-2-6-16-29)48-44(50-46)35-20-11-18-33-34-19-12-21-36(42(34)53-41(33)35)45-47-37-22-8-10-24-40(37)52-45/h1-27H.
What are the key properties of 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole?
2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole has a molecular weight of 713.89 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 146513232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).