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

C51H30N4S — CID 146621642

IUPAC5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4ccccc34)n2)c2ccccc2c1
InChIInChI=1S/C51H30N4S/c1-2-14-33-28-46-43(27-32(33)13-1)39-19-7-9-22-45(39)55(46)36-26-34-15-4-6-18-38(34)44(30-36)51-53-49(35-24-25-41-40-20-8-10-23-47(40)56-48(41)29-35)52-50(54-51)42-21-11-16-31-12-3-5-17-37(31)42/h1-30H
InChIKeyUUBPECRWASDVMC-UHFFFAOYSA-N
MW730.90 g/mol
LogP13.80
Rot. Bonds4

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

5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146621642) has the molecular formula C51H30N4S and a molecular weight of 730.90 g/mol. Its IUPAC name is 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID146621642
Molecular FormulaC51H30N4S
Molecular Weight730.90 g/mol
Exact Mass730.22
IUPAC Name5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4ccccc34)n2)c2ccccc2c1
InChIInChI=1S/C51H30N4S/c1-2-14-33-28-46-43(27-32(33)13-1)39-19-7-9-22-45(39)55(46)36-26-34-15-4-6-18-38(34)44(30-36)51-53-49(35-24-25-41-40-20-8-10-23-47(40)56-48(41)29-35)52-50(54-51)42-21-11-16-31-12-3-5-17-37(31)42/h1-30H
InChIKeyUUBPECRWASDVMC-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

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Related Compounds

5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 159785914
5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347924
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621277
5-[7-(4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 164714703
5-[2-dibenzothiophen-3-yl-4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475053
5-[4-[4,6-bis(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
CID 155430722
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034505
2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzothiol-8-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-9-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[7,6-b][1]benzothiol-7-yl-1,3,5-triazine;3-(4-naphtho[6,7-b][1]benzothiol-10-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 165021659
5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474637
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (CID 146621642) is 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4ccccc34)n2)c2ccccc2c1.
What is the InChIKey of 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is UUBPECRWASDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S/c1-2-14-33-28-46-43(27-32(33)13-1)39-19-7-9-22-45(39)55(46)36-26-34-15-4-6-18-38(34)44(30-36)51-53-49(35-24-25-41-40-20-8-10-23-47(40)56-48(41)29-35)52-50(54-51)42-21-11-16-31-12-3-5-17-37(31)42/h1-30H.
What are the key properties of 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]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 5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146621642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).