9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole

C47H34N4S — CID 146581802

IUPAC9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole
SMILESCS1(C)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H34N4S/c1-52(2)41-25-13-21-35(31-27-29-34(30-28-31)51-39-23-11-9-19-36(39)37-20-10-12-24-40(37)51)43(41)44-38(22-14-26-42(44)52)47-49-45(32-15-5-3-6-16-32)48-46(50-47)33-17-7-4-8-18-33/h3-30H,1-2H3
InChIKeyJUDXBFFHGCOWRD-UHFFFAOYSA-N
MW686.88 g/mol
LogP12.10
Rot. Bonds5

About 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole

9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole (PubChem CID 146581802) has the molecular formula C47H34N4S and a molecular weight of 686.88 g/mol. Its IUPAC name is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole
PubChem CID146581802
Molecular FormulaC47H34N4S
Molecular Weight686.88 g/mol
Exact Mass686.25
IUPAC Name9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole
SMILESCS1(C)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H34N4S/c1-52(2)41-25-13-21-35(31-27-29-34(30-28-31)51-39-23-11-9-19-36(39)37-20-10-12-24-40(37)51)43(41)44-38(22-14-26-42(44)52)47-49-45(32-15-5-3-6-16-32)48-46(50-47)33-17-7-4-8-18-33/h3-30H,1-2H3
InChIKeyJUDXBFFHGCOWRD-UHFFFAOYSA-N
XLogP12.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.88
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]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-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole (CID 146581802) is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole is CS1(C)c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole?
The InChIKey is JUDXBFFHGCOWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4S/c1-52(2)41-25-13-21-35(31-27-29-34(30-28-31)51-39-23-11-9-19-36(39)37-20-10-12-24-40(37)51)43(41)44-38(22-14-26-42(44)52)47-49-45(32-15-5-3-6-16-32)48-46(50-47)33-17-7-4-8-18-33/h3-30H,1-2H3.
What are the key properties of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole?
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole has a molecular weight of 686.88 g/mol, XLogP of 12.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyldibenzothiophen-1-yl]phenyl]carbazole is sourced from PubChem (CID 146581802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).