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

C40H24N6S — CID 171756549

IUPAC2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5nc6ccccc6s5)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C40H24N6S/c1-2-12-26(13-3-1)45-32-18-8-6-16-29(32)30-24-25(22-23-35(30)45)37-42-38(39-41-31-17-7-11-21-36(31)47-39)44-40(43-37)46-33-19-9-4-14-27(33)28-15-5-10-20-34(28)46/h1-24H
InChIKeySSPSKLCADYRNNY-UHFFFAOYSA-N
MW620.74 g/mol
LogP10.01
Rot. Bonds4

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

2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole (PubChem CID 171756549) has the molecular formula C40H24N6S and a molecular weight of 620.74 g/mol. Its IUPAC name is 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
PubChem CID171756549
Molecular FormulaC40H24N6S
Molecular Weight620.74 g/mol
Exact Mass620.18
IUPAC Name2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5nc6ccccc6s5)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C40H24N6S/c1-2-12-26(13-3-1)45-32-18-8-6-16-29(32)30-24-25(22-23-35(30)45)37-42-38(39-41-31-17-7-11-21-36(31)47-39)44-40(43-37)46-33-19-9-4-14-27(33)28-15-5-10-20-34(28)46/h1-24H
InChIKeySSPSKLCADYRNNY-UHFFFAOYSA-N
XLogP10.01
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.74
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 168832578
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzothiazole
CID 147953045
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
2-[3-(1,3-benzothiazol-2-yl)-5-[4-carbazol-9-yl-6-(1-methyl-2-phenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 176740322
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 134236821
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 67701024
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883

Frequently Asked Questions

What is the IUPAC name of 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole (CID 171756549) is 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5nc6ccccc6s5)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1.
What is the InChIKey of 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
The InChIKey is SSPSKLCADYRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6S/c1-2-12-26(13-3-1)45-32-18-8-6-16-29(32)30-24-25(22-23-35(30)45)37-42-38(39-41-31-17-7-11-21-36(31)47-39)44-40(43-37)46-33-19-9-4-14-27(33)28-15-5-10-20-34(28)46/h1-24H.
What are the key properties of 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole has a molecular weight of 620.74 g/mol, XLogP of 10.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 171756549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).