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

C51H30N4S — CID 155120615

IUPAC9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C51H30N4S/c1-2-14-31(15-3-1)49-52-50(32-26-27-48-42(28-32)39-22-10-13-25-47(39)56-48)54-51(53-49)43-29-40-35-18-6-4-16-33(35)34-17-5-7-19-36(34)41(40)30-46(43)55-44-23-11-8-20-37(44)38-21-9-12-24-45(38)55/h1-30H
InChIKeyWDYUQYHKHMLRLW-UHFFFAOYSA-N
MW730.90 g/mol
LogP13.80
Rot. Bonds4

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

9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole (PubChem CID 155120615) has the molecular formula C51H30N4S and a molecular weight of 730.90 g/mol. Its IUPAC name is 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
PubChem CID155120615
Molecular FormulaC51H30N4S
Molecular Weight730.90 g/mol
Exact Mass730.22
IUPAC Name9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C51H30N4S/c1-2-14-31(15-3-1)49-52-50(32-26-27-48-42(28-32)39-22-10-13-25-47(39)56-48)54-51(53-49)43-29-40-35-18-6-4-16-33(35)34-17-5-7-19-36(34)41(40)30-46(43)55-44-23-11-8-20-37(44)38-21-9-12-24-45(38)55/h1-30H
InChIKeyWDYUQYHKHMLRLW-UHFFFAOYSA-N
XLogP13.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.90
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 142577032
2-carbazol-9-yl-9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179594
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155232271
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034505
3-dibenzothiophen-2-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165030110
11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 147613320

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?
The IUPAC name of 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole (CID 155120615) is 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole.
What is the SMILES notation for 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?
The canonical SMILES for 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole is c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?
The InChIKey is WDYUQYHKHMLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S/c1-2-14-31(15-3-1)49-52-50(32-26-27-48-42(28-32)39-22-10-13-25-47(39)56-48)54-51(53-49)43-29-40-35-18-6-4-16-33(35)34-17-5-7-19-36(34)41(40)30-46(43)55-44-23-11-8-20-37(44)38-21-9-12-24-45(38)55/h1-30H.
What are the key properties of 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole?
9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole has a molecular weight of 730.90 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole is sourced from PubChem (CID 155120615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).