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

C46H27N5S2 — CID 170681640

IUPAC4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc3c(-c4cccc(-c5nc(-c6ccc7c(c6)sc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4)cccc3s2)cc1
InChIInChI=1S/C46H27N5S2/c1-2-12-28(13-3-1)45-47-42-32(19-11-23-40(42)53-45)29-14-10-15-30(26-29)43-48-44(31-24-25-36-35-18-6-9-22-39(35)52-41(36)27-31)50-46(49-43)51-37-20-7-4-16-33(37)34-17-5-8-21-38(34)51/h1-27H
InChIKeyJOOXQHMWJHOLQZ-UHFFFAOYSA-N
MW713.89 g/mol
LogP12.61
Rot. Bonds5

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

4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole (PubChem CID 170681640) has the molecular formula C46H27N5S2 and a molecular weight of 713.89 g/mol. Its IUPAC name is 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
PubChem CID170681640
Molecular FormulaC46H27N5S2
Molecular Weight713.89 g/mol
Exact Mass713.17
IUPAC Name4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc3c(-c4cccc(-c5nc(-c6ccc7c(c6)sc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4)cccc3s2)cc1
InChIInChI=1S/C46H27N5S2/c1-2-12-28(13-3-1)45-47-42-32(19-11-23-40(42)53-45)29-14-10-15-30(26-29)43-48-44(31-24-25-36-35-18-6-9-22-39(35)52-41(36)27-31)50-46(49-43)51-37-20-7-4-16-33(37)34-17-5-8-21-38(34)51/h1-27H
InChIKeyJOOXQHMWJHOLQZ-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-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
9-[4-phenyl-6-[4-[3-(8-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-3-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 158411014
6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756581
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzothiazole
CID 170681559
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 163716128
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742562
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
4-[3-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572660
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-[3-[4-dibenzothiophen-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747138

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole (CID 170681640) is 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole is c1ccc(-c2nc3c(-c4cccc(-c5nc(-c6ccc7c(c6)sc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4)cccc3s2)cc1.
What is the InChIKey of 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole?
The InChIKey is JOOXQHMWJHOLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5S2/c1-2-12-28(13-3-1)45-47-42-32(19-11-23-40(42)53-45)29-14-10-15-30(26-29)43-48-44(31-24-25-36-35-18-6-9-22-39(35)52-41(36)27-31)50-46(49-43)51-37-20-7-4-16-33(37)34-17-5-8-21-38(34)51/h1-27H.
What are the key properties of 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole?
4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-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 4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 170681640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).