1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C45H26N4S2 — CID 170132368

IUPAC1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6sc7ccccc7c6c5)n4)c32)cc1
InChIInChI=1S/C45H26N4S2/c1-2-11-29(12-3-1)49-37-18-7-4-13-30(37)34-16-10-17-35(42(34)49)45-47-43(27-22-24-40-36(25-27)32-15-6-9-20-39(32)50-40)46-44(48-45)28-21-23-33-31-14-5-8-19-38(31)51-41(33)26-28/h1-26H
InChIKeyXNRMZAMXOGRNTA-UHFFFAOYSA-N
MW686.87 g/mol
LogP12.71
Rot. Bonds4

About 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole

1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 170132368) has the molecular formula C45H26N4S2 and a molecular weight of 686.87 g/mol. Its IUPAC name is 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID170132368
Molecular FormulaC45H26N4S2
Molecular Weight686.87 g/mol
Exact Mass686.16
IUPAC Name1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6sc7ccccc7c6c5)n4)c32)cc1
InChIInChI=1S/C45H26N4S2/c1-2-11-29(12-3-1)49-37-18-7-4-13-30(37)34-16-10-17-35(42(34)49)45-47-43(27-22-24-40-36(25-27)32-15-6-9-20-39(32)50-40)46-44(48-45)28-21-23-33-31-14-5-8-19-38(31)51-41(33)26-28/h1-26H
InChIKeyXNRMZAMXOGRNTA-UHFFFAOYSA-N
XLogP12.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.87
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807762
12-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 159601446
12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 147484306
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168913
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 163716128
2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;12-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163482957
N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
CID 171727074
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757
9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530
3-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-dibenzothiophen-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine;9-phenyl-1-[4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazin-2-yl]carbazole
CID 158295733

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 170132368) is 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6sc7ccccc7c6c5)n4)c32)cc1.
What is the InChIKey of 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is XNRMZAMXOGRNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4S2/c1-2-11-29(12-3-1)49-37-18-7-4-13-30(37)34-16-10-17-35(42(34)49)45-47-43(27-22-24-40-36(25-27)32-15-6-9-20-39(32)50-40)46-44(48-45)28-21-23-33-31-14-5-8-19-38(31)51-41(33)26-28/h1-26H.
What are the key properties of 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 686.87 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 170132368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).