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

C47H28N4S — CID 162703781

IUPAC5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)n2)cc1
InChIInChI=1S/C47H28N4S/c1-2-13-30(14-3-1)45-48-46(36-20-10-17-29-12-6-7-18-34(29)36)50-47(49-45)37-21-11-23-43-44(37)39-28-33(24-25-42(39)52-43)51-40-22-9-8-19-35(40)38-26-31-15-4-5-16-32(31)27-41(38)51/h1-28H
InChIKeyJZPFEPXCSFMQIO-UHFFFAOYSA-N
MW680.84 g/mol
LogP12.64
Rot. Bonds4

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

5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole (PubChem CID 162703781) has the molecular formula C47H28N4S and a molecular weight of 680.84 g/mol. Its IUPAC name is 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
PubChem CID162703781
Molecular FormulaC47H28N4S
Molecular Weight680.84 g/mol
Exact Mass680.20
IUPAC Name5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)n2)cc1
InChIInChI=1S/C47H28N4S/c1-2-13-30(14-3-1)45-48-46(36-20-10-17-29-12-6-7-18-34(29)36)50-47(49-45)37-21-11-23-43-44(37)39-28-33(24-25-42(39)52-43)51-40-22-9-8-19-35(40)38-26-31-15-4-5-16-32(31)27-41(38)51/h1-28H
InChIKeyJZPFEPXCSFMQIO-UHFFFAOYSA-N
XLogP12.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.84
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250
5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427
5-[3-naphtho[2,3-b][1]benzothiol-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430752
5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430891
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430251
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
5-[3-dibenzothiophen-1-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430603
5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole
CID 162703662
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole (CID 162703781) is 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4sc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)n2)cc1.
What is the InChIKey of 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole?
The InChIKey is JZPFEPXCSFMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4S/c1-2-13-30(14-3-1)45-48-46(36-20-10-17-29-12-6-7-18-34(29)36)50-47(49-45)37-21-11-23-43-44(37)39-28-33(24-25-42(39)52-43)51-40-22-9-8-19-35(40)38-26-31-15-4-5-16-32(31)27-41(38)51/h1-28H.
What are the key properties of 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole?
5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole has a molecular weight of 680.84 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 162703781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).