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

C53H32N4S — CID 146621069

IUPAC5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H32N4S/c1-2-13-33(14-3-1)34-25-27-35(28-26-34)51-54-52(56-53(55-51)44-22-12-21-42-41-20-9-11-24-49(41)58-50(42)44)43-29-30-47(39-18-7-6-17-38(39)43)57-46-23-10-8-19-40(46)45-31-36-15-4-5-16-37(36)32-48(45)57/h1-32H
InChIKeyVVGRMSPRLQABOQ-UHFFFAOYSA-N
MW756.93 g/mol
LogP14.31
Rot. Bonds5

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

5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146621069) has the molecular formula C53H32N4S and a molecular weight of 756.93 g/mol. Its IUPAC name is 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID146621069
Molecular FormulaC53H32N4S
Molecular Weight756.93 g/mol
Exact Mass756.23
IUPAC Name5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H32N4S/c1-2-13-33(14-3-1)34-25-27-35(28-26-34)51-54-52(56-53(55-51)44-22-12-21-42-41-20-9-11-24-49(41)58-50(42)44)43-29-30-47(39-18-7-6-17-38(39)43)57-46-23-10-8-19-40(46)45-31-36-15-4-5-16-37(36)32-48(45)57/h1-32H
InChIKeyVVGRMSPRLQABOQ-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-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 166915189
9-[4-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]carbazole
CID 168831657
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
CID 168831689
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155034988
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
9-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153176300
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621086
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146621069) is 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is VVGRMSPRLQABOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S/c1-2-13-33(14-3-1)34-25-27-35(28-26-34)51-54-52(56-53(55-51)44-22-12-21-42-41-20-9-11-24-49(41)58-50(42)44)43-29-30-47(39-18-7-6-17-38(39)43)57-46-23-10-8-19-40(46)45-31-36-15-4-5-16-37(36)32-48(45)57/h1-32H.
What are the key properties of 5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
5-[4-[4-dibenzothiophen-4-yl-6-(4-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-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146621069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).