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

C51H32N4S — CID 164950880

IUPAC1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1
InChIInChI=1S/C51H32N4S/c1-4-17-33(18-5-1)36-25-14-30-43(51-53-49(34-19-6-2-7-20-34)52-50(54-51)35-21-8-3-9-22-35)46(36)55-44-31-12-10-23-37(44)39-26-15-27-40(47(39)55)42-29-16-28-41-38-24-11-13-32-45(38)56-48(41)42/h1-32H
InChIKeyJZMNCCBGSUAGIR-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.67
Rot. Bonds6

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

1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole (PubChem CID 164950880) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole.

Molecular Properties

Compound Name1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
PubChem CID164950880
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1
InChIInChI=1S/C51H32N4S/c1-4-17-33(18-5-1)36-25-14-30-43(51-53-49(34-19-6-2-7-20-34)52-50(54-51)35-21-8-3-9-22-35)46(36)55-44-31-12-10-23-37(44)39-26-15-27-40(47(39)55)42-29-16-28-41-38-24-11-13-32-45(38)56-48(41)42/h1-32H
InChIKeyJZMNCCBGSUAGIR-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,6-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165507
2-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165076970
9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953055
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 166915189
3-dibenzothiophen-2-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165030110
9-[4-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]carbazole
CID 168831657
1-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole
CID 163479872
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165045068
9-[5-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500204
9-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167276199
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
The IUPAC name of 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole (CID 164950880) is 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole.
What is the SMILES notation for 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
The canonical SMILES for 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1.
What is the InChIKey of 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
The InChIKey is JZMNCCBGSUAGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-4-17-33(18-5-1)36-25-14-30-43(51-53-49(34-19-6-2-7-20-34)52-50(54-51)35-21-8-3-9-22-35)46(36)55-44-31-12-10-23-37(44)39-26-15-27-40(47(39)55)42-29-16-28-41-38-24-11-13-32-45(38)56-48(41)42/h1-32H.
What are the key properties of 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole?
1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole has a molecular weight of 732.91 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole is sourced from PubChem (CID 164950880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).