5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole

C53H32N4S — CID 155034988

IUPAC5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(sc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H32N4S/c1-2-13-33(14-3-1)34-25-27-36(28-26-34)51-54-52(43-22-12-18-35-15-6-7-19-39(35)43)56-53(55-51)44-30-29-42-41-21-9-11-24-48(41)58-50(42)49(44)57-46-23-10-8-20-40(46)45-31-37-16-4-5-17-38(37)32-47(45)57/h1-32H
InChIKeyYBDSHGNRKCWHJO-UHFFFAOYSA-N
MW756.93 g/mol
LogP14.31
Rot. Bonds5

About 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole

5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole (PubChem CID 155034988) has the molecular formula C53H32N4S and a molecular weight of 756.93 g/mol. Its IUPAC name is 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
PubChem CID155034988
Molecular FormulaC53H32N4S
Molecular Weight756.93 g/mol
Exact Mass756.23
IUPAC Name5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(sc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H32N4S/c1-2-13-33(14-3-1)34-25-27-36(28-26-34)51-54-52(43-22-12-18-35-15-6-7-19-39(35)43)56-53(55-51)44-30-29-42-41-21-9-11-24-48(41)58-50(42)49(44)57-46-23-10-8-20-40(46)45-31-37-16-4-5-17-38(37)32-47(45)57/h1-32H
InChIKeyYBDSHGNRKCWHJO-UHFFFAOYSA-N
XLogP14.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
5-[5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(3-phenylphenyl)phenyl]benzo[b]carbazole
CID 155450024
2-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165076970
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034505
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450731
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621277
5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[b]carbazole
CID 163771493
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole
CID 155035114

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole (CID 155034988) is 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(sc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5ccccc45)n3)cc2)cc1.
What is the InChIKey of 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole?
The InChIKey is YBDSHGNRKCWHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S/c1-2-13-33(14-3-1)34-25-27-36(28-26-34)51-54-52(43-22-12-18-35-15-6-7-19-39(35)43)56-53(55-51)44-30-29-42-41-21-9-11-24-48(41)58-50(42)49(44)57-46-23-10-8-20-40(46)45-31-37-16-4-5-17-38(37)32-47(45)57/h1-32H.
What are the key properties of 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole?
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole has a molecular weight of 756.93 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole is sourced from PubChem (CID 155034988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).