9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole

C51H32N4S2 — CID 162780279

IUPAC9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccc3sc4c(C5=NC(c6ccccc6)NC(c6cccc7sc8ccccc8c67)=N5)cc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-14-31(15-4-1)33-26-27-45-39(28-33)40-29-34(55-42-22-10-7-18-35(42)36-19-8-11-23-43(36)55)30-41(48(40)57-45)51-53-49(32-16-5-2-6-17-32)52-50(54-51)38-21-13-25-46-47(38)37-20-9-12-24-44(37)56-46/h1-30,49H,(H,52,53,54)
InChIKeyQNKCJTWJGKGOSL-UHFFFAOYSA-N
MW764.98 g/mol
LogP13.68
Rot. Bonds5

About 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole

9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole (PubChem CID 162780279) has the molecular formula C51H32N4S2 and a molecular weight of 764.98 g/mol. Its IUPAC name is 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
PubChem CID162780279
Molecular FormulaC51H32N4S2
Molecular Weight764.98 g/mol
Exact Mass764.21
IUPAC Name9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccc3sc4c(C5=NC(c6ccccc6)NC(c6cccc7sc8ccccc8c67)=N5)cc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-14-31(15-4-1)33-26-27-45-39(28-33)40-29-34(55-42-22-10-7-18-35(42)36-19-8-11-23-43(36)55)30-41(48(40)57-45)51-53-49(32-16-5-2-6-17-32)52-50(54-51)38-21-13-25-46-47(38)37-20-9-12-24-44(37)56-46/h1-30,49H,(H,52,53,54)
InChIKeyQNKCJTWJGKGOSL-UHFFFAOYSA-N
XLogP13.68
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.98
LogP ≤ 513.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
CID 163899540
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 137285252
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
CID 139555395
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 137227552
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379
5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155430884

Frequently Asked Questions

What is the IUPAC name of 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole (CID 162780279) is 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole is c1ccc(-c2ccc3sc4c(C5=NC(c6ccccc6)NC(c6cccc7sc8ccccc8c67)=N5)cc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1.
What is the InChIKey of 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole?
The InChIKey is QNKCJTWJGKGOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S2/c1-3-14-31(15-4-1)33-26-27-45-39(28-33)40-29-34(55-42-22-10-7-18-35(42)36-19-8-11-23-43(36)55)30-41(48(40)57-45)51-53-49(32-16-5-2-6-17-32)52-50(54-51)38-21-13-25-46-47(38)37-20-9-12-24-44(37)56-46/h1-30,49H,(H,52,53,54).
What are the key properties of 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole?
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole has a molecular weight of 764.98 g/mol, XLogP of 13.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 162780279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).