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

C40H23N5S2 — CID 171756581

IUPAC6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccc(-c4nc(-c5cccc6c5sc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)cc3s2)cc1
InChIInChI=1S/C40H23N5S2/c1-2-11-24(12-3-1)39-41-31-22-21-25(23-35(31)47-39)37-42-38(30-17-10-16-29-28-15-6-9-20-34(28)46-36(29)30)44-40(43-37)45-32-18-7-4-13-26(32)27-14-5-8-19-33(27)45/h1-23H
InChIKeyONXAEILVSBSNSB-UHFFFAOYSA-N
MW637.79 g/mol
LogP10.95
Rot. Bonds4

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

6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole (PubChem CID 171756581) has the molecular formula C40H23N5S2 and a molecular weight of 637.79 g/mol. Its IUPAC name is 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
PubChem CID171756581
Molecular FormulaC40H23N5S2
Molecular Weight637.79 g/mol
Exact Mass637.14
IUPAC Name6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccc(-c4nc(-c5cccc6c5sc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)cc3s2)cc1
InChIInChI=1S/C40H23N5S2/c1-2-11-24(12-3-1)39-41-31-22-21-25(23-35(31)47-39)37-42-38(30-17-10-16-29-28-15-6-9-20-34(28)46-36(29)30)44-40(43-37)45-32-18-7-4-13-26(32)27-14-5-8-19-33(27)45/h1-23H
InChIKeyONXAEILVSBSNSB-UHFFFAOYSA-N
XLogP10.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 510.95
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
6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756531
2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513232
6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756575
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
9-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153176300
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 147296316
4-[3-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 170681640
5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756559
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916090
2-[3-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 163934353

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole?
The IUPAC name of 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole (CID 171756581) is 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole is c1ccc(-c2nc3ccc(-c4nc(-c5cccc6c5sc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)cc3s2)cc1.
What is the InChIKey of 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole?
The InChIKey is ONXAEILVSBSNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5S2/c1-2-11-24(12-3-1)39-41-31-22-21-25(23-35(31)47-39)37-42-38(30-17-10-16-29-28-15-6-9-20-34(28)46-36(29)30)44-40(43-37)45-32-18-7-4-13-26(32)27-14-5-8-19-33(27)45/h1-23H.
What are the key properties of 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole?
6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole has a molecular weight of 637.79 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 171756581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).