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

C55H34N4S — CID 172500355

IUPAC9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C55H34N4S/c1-3-15-35(16-4-1)37-27-30-47(50(33-37)59-48-24-12-9-21-42(48)43-22-10-13-25-49(43)59)55-57-53(36-17-5-2-6-18-36)56-54(58-55)46-32-31-39(40-19-7-8-20-41(40)46)38-28-29-45-44-23-11-14-26-51(44)60-52(45)34-38/h1-34H
InChIKeyMUOPSXXIASAMKA-UHFFFAOYSA-N
MW782.97 g/mol
LogP14.82
Rot. Bonds6

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

9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (PubChem CID 172500355) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
PubChem CID172500355
Molecular FormulaC55H34N4S
Molecular Weight782.97 g/mol
Exact Mass782.25
IUPAC Name9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C55H34N4S/c1-3-15-35(16-4-1)37-27-30-47(50(33-37)59-48-24-12-9-21-42(48)43-22-10-13-25-49(43)59)55-57-53(36-17-5-2-6-18-36)56-54(58-55)46-32-31-39(40-19-7-8-20-41(40)46)38-28-29-45-44-23-11-14-26-51(44)60-52(45)34-38/h1-34H
InChIKeyMUOPSXXIASAMKA-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-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 172500329
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
9-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-naphthalen-1-ylphenyl]carbazole
CID 172500215
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165480
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
9-[5-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500468
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500254

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The IUPAC name of 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (CID 172500355) is 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The InChIKey is MUOPSXXIASAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-3-15-35(16-4-1)37-27-30-47(50(33-37)59-48-24-12-9-21-42(48)43-22-10-13-25-49(43)59)55-57-53(36-17-5-2-6-18-36)56-54(58-55)46-32-31-39(40-19-7-8-20-41(40)46)38-28-29-45-44-23-11-14-26-51(44)60-52(45)34-38/h1-34H.
What are the key properties of 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole 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 9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 172500355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).