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

C53H32N4S — CID 146621951

IUPAC5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C53H32N4S/c1-2-14-33(15-3-1)34-18-12-19-37(30-34)51-54-52(56-53(55-51)43-24-13-27-49-50(43)42-23-9-11-26-48(42)58-49)41-28-29-46(39-21-7-6-20-38(39)41)57-45-25-10-8-22-40(45)44-31-35-16-4-5-17-36(35)32-47(44)57/h1-32H
InChIKeyKRVMIMIPJAJUSW-UHFFFAOYSA-N
MW756.93 g/mol
LogP14.31
Rot. Bonds5

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

5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146621951) has the molecular formula C53H32N4S and a molecular weight of 756.93 g/mol. Its IUPAC name is 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID146621951
Molecular FormulaC53H32N4S
Molecular Weight756.93 g/mol
Exact Mass756.23
IUPAC Name5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C53H32N4S/c1-2-14-33(15-3-1)34-18-12-19-37(30-34)51-54-52(56-53(55-51)43-24-13-27-49-50(43)42-23-9-11-26-48(42)58-49)41-28-29-46(39-21-7-6-20-38(39)41)57-45-25-10-8-22-40(45)44-31-35-16-4-5-17-36(35)32-47(44)57/h1-32H
InChIKeyKRVMIMIPJAJUSW-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-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
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-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
5-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039195
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 157483368
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-1-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155474878
5-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163473582
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,3-b][1]benzothiol-1-ylphenyl]benzo[b]carbazole
CID 155474598
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146621951) is 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5sc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is KRVMIMIPJAJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S/c1-2-14-33(15-3-1)34-18-12-19-37(30-34)51-54-52(56-53(55-51)43-24-13-27-49-50(43)42-23-9-11-26-48(42)58-49)41-28-29-46(39-21-7-6-20-38(39)41)57-45-25-10-8-22-40(45)44-31-35-16-4-5-17-36(35)32-47(44)57/h1-32H.
What are the key properties of 5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-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-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146621951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).