9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole

C52H32N4S — CID 147457639

IUPAC9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc4sc5ccccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-17-33(18-4-1)40-31-41(54-52(53-40)34-19-5-2-6-20-34)50-49-39-25-11-16-30-47(39)57-48(49)32-46(55-42-26-12-7-21-35(42)36-22-8-13-27-43(36)55)51(50)56-44-28-14-9-23-37(44)38-24-10-15-29-45(38)56/h1-32H
InChIKeyDZHOGADZGCGXBM-UHFFFAOYSA-N
MW744.92 g/mol
LogP14.04
Rot. Bonds5

About 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole

9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole (PubChem CID 147457639) has the molecular formula C52H32N4S and a molecular weight of 744.92 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole
PubChem CID147457639
Molecular FormulaC52H32N4S
Molecular Weight744.92 g/mol
Exact Mass744.23
IUPAC Name9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc4sc5ccccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-17-33(18-4-1)40-31-41(54-52(53-40)34-19-5-2-6-20-34)50-49-39-25-11-16-30-47(39)57-48(49)32-46(55-42-26-12-7-21-35(42)36-22-8-13-27-43(36)55)51(50)56-44-28-14-9-23-37(44)38-24-10-15-29-45(38)56/h1-32H
InChIKeyDZHOGADZGCGXBM-UHFFFAOYSA-N
XLogP14.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 90291697
9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 153300149
12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 160586357
2,3-di(carbazol-9-yl)dibenzothiophene-1-carbonitrile
CID 155131519
11-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 149371040
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
CID 118154625
2-[1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142453320
9-[8-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzothiol-5-yl]carbazole
CID 164707461
3-carbazol-9-yl-2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzonitrile
CID 122575905
2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 156678674
9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole
CID 153300086
[2-(1-carbazol-9-ylcarbazol-9-yl)-1-phenyldibenzothiophen-3-yl]-trimethylsilane
CID 177105302

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole (CID 147457639) is 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole is c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc4sc5ccccc5c34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole?
The InChIKey is DZHOGADZGCGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S/c1-3-17-33(18-4-1)40-31-41(54-52(53-40)34-19-5-2-6-20-34)50-49-39-25-11-16-30-47(39)57-48(49)32-46(55-42-26-12-7-21-35(42)36-22-8-13-27-43(36)55)51(50)56-44-28-14-9-23-37(44)38-24-10-15-29-45(38)56/h1-32H.
What are the key properties of 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole?
9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole has a molecular weight of 744.92 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 147457639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).