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

C40H24N6S — CID 171756582

IUPAC4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc4scnc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C40H24N6S/c1-2-11-25(12-3-1)26-21-22-35-31(23-26)29-15-6-9-19-34(29)46(35)40-43-38(30-16-10-20-36-37(30)41-24-47-36)42-39(44-40)45-32-17-7-4-13-27(32)28-14-5-8-18-33(28)45/h1-24H
InChIKeyQYRKRMIONLMPQA-UHFFFAOYSA-N
MW620.74 g/mol
LogP10.01
Rot. Bonds4

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

4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole (PubChem CID 171756582) has the molecular formula C40H24N6S and a molecular weight of 620.74 g/mol. Its IUPAC name is 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
PubChem CID171756582
Molecular FormulaC40H24N6S
Molecular Weight620.74 g/mol
Exact Mass620.18
IUPAC Name4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc4scnc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C40H24N6S/c1-2-11-25(12-3-1)26-21-22-35-31(23-26)29-15-6-9-19-34(29)46(35)40-43-38(30-16-10-20-36-37(30)41-24-47-36)42-39(44-40)45-32-17-7-4-13-27(32)28-14-5-8-18-33(28)45/h1-24H
InChIKeyQYRKRMIONLMPQA-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

9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742695
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756603
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158605707
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742480
9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742610
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649

Frequently Asked Questions

What is the IUPAC name of 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
The IUPAC name of 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole (CID 171756582) is 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc4scnc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
The InChIKey is QYRKRMIONLMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6S/c1-2-11-25(12-3-1)26-21-22-35-31(23-26)29-15-6-9-19-34(29)46(35)40-43-38(30-16-10-20-36-37(30)41-24-47-36)42-39(44-40)45-32-17-7-4-13-27(32)28-14-5-8-18-33(28)45/h1-24H.
What are the key properties of 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole?
4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-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 4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 171756582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).