9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole

C50H31N5S — CID 172500027

IUPAC9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccnc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C50H31N5S/c1-3-14-32(15-4-1)36-27-26-34(31-45(36)55-43-23-10-7-18-37(43)38-19-8-11-24-44(38)55)49-52-48(33-16-5-2-6-17-33)53-50(54-49)35-28-29-51-42(30-35)41-22-13-21-40-39-20-9-12-25-46(39)56-47(40)41/h1-31H
InChIKeyGTYCIFWVUFZRTO-UHFFFAOYSA-N
MW733.90 g/mol
LogP13.07
Rot. Bonds6

About 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole

9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (PubChem CID 172500027) has the molecular formula C50H31N5S and a molecular weight of 733.90 g/mol. Its IUPAC name is 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
PubChem CID172500027
Molecular FormulaC50H31N5S
Molecular Weight733.90 g/mol
Exact Mass733.23
IUPAC Name9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccnc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C50H31N5S/c1-3-14-32(15-4-1)36-27-26-34(31-45(36)55-43-23-10-7-18-37(43)38-19-8-11-24-44(38)55)49-52-48(33-16-5-2-6-17-33)53-50(54-49)35-28-29-51-42(30-35)41-22-13-21-40-39-20-9-12-25-46(39)56-47(40)41/h1-31H
InChIKeyGTYCIFWVUFZRTO-UHFFFAOYSA-N
XLogP13.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridin-4-ylphenyl]carbazole
CID 172500088
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
9-[5-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500204
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[3,4-b]indole
CID 172500275
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500399
8-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 172500242
9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
CID 168831689
4-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 172500155
9-[4-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]carbazole
CID 168831657

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The IUPAC name of 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (CID 172500027) is 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.
What is the SMILES notation for 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The canonical SMILES for 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccnc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The InChIKey is GTYCIFWVUFZRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5S/c1-3-14-32(15-4-1)36-27-26-34(31-45(36)55-43-23-10-7-18-37(43)38-19-8-11-24-44(38)55)49-52-48(33-16-5-2-6-17-33)53-50(54-49)35-28-29-51-42(30-35)41-22-13-21-40-39-20-9-12-25-46(39)56-47(40)41/h1-31H.
What are the key properties of 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole has a molecular weight of 733.90 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is sourced from PubChem (CID 172500027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).