3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole

C55H34N4S — CID 156549994

IUPAC3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)sc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C55H34N4S/c1-4-16-35(17-5-1)53-56-54(36-18-6-2-7-19-36)58-55(57-53)44-30-29-40(41-22-10-11-23-42(41)44)38-33-46(52-45-25-13-15-27-50(45)60-51(52)34-38)37-28-31-49-47(32-37)43-24-12-14-26-48(43)59(49)39-20-8-3-9-21-39/h1-34H
InChIKeyGRFLBUWJBQRATO-UHFFFAOYSA-N
MW782.97 g/mol
LogP14.82
Rot. Bonds6

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

3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole (PubChem CID 156549994) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
PubChem CID156549994
Molecular FormulaC55H34N4S
Molecular Weight782.97 g/mol
Exact Mass782.25
IUPAC Name3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)sc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C55H34N4S/c1-4-16-35(17-5-1)53-56-54(36-18-6-2-7-19-36)58-55(57-53)44-30-29-40(41-22-10-11-23-42(41)44)38-33-46(52-45-25-13-15-27-50(45)60-51(52)34-38)37-28-31-49-47(32-37)43-24-12-14-26-48(43)59(49)39-20-8-3-9-21-39/h1-34H
InChIKeyGRFLBUWJBQRATO-UHFFFAOYSA-N
XLogP14.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazole
CID 158654712
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 118507992
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 154938927
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153460421
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 153460253
3-[4-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-9-phenylcarbazole
CID 167237296
2-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 153459863
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 167378774
2-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153459818
3-[4-(7-dibenzothiophen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445727

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole (CID 156549994) is 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)sc4ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?
The InChIKey is GRFLBUWJBQRATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-4-16-35(17-5-1)53-56-54(36-18-6-2-7-19-36)58-55(57-53)44-30-29-40(41-22-10-11-23-42(41)44)38-33-46(52-45-25-13-15-27-50(45)60-51(52)34-38)37-28-31-49-47(32-37)43-24-12-14-26-48(43)59(49)39-20-8-3-9-21-39/h1-34H.
What are the key properties of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole?
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole has a molecular weight of 782.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzothiophen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 156549994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).