9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole

C34H21N3S — CID 118133174

IUPAC9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc6c5sc5ccccc56)n4)c3c2)cc1
InChIInChI=1S/C34H21N3S/c1-2-9-22(10-3-1)23-17-18-25-24-11-4-6-15-30(24)37(31(25)21-23)34-35-20-19-29(36-34)28-14-8-13-27-26-12-5-7-16-32(26)38-33(27)28/h1-21H
InChIKeyFJHNMUJCPLWPED-UHFFFAOYSA-N
MW503.63 g/mol
LogP9.28
Rot. Bonds3

About 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole

9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole (PubChem CID 118133174) has the molecular formula C34H21N3S and a molecular weight of 503.63 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
PubChem CID118133174
Molecular FormulaC34H21N3S
Molecular Weight503.63 g/mol
Exact Mass503.15
IUPAC Name9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc6c5sc5ccccc56)n4)c3c2)cc1
InChIInChI=1S/C34H21N3S/c1-2-9-22(10-3-1)23-17-18-25-24-11-4-6-15-30(24)37(31(25)21-23)34-35-20-19-29(36-34)28-14-8-13-27-26-12-5-7-16-32(26)38-33(27)28/h1-21H
InChIKeyFJHNMUJCPLWPED-UHFFFAOYSA-N
XLogP9.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186
3-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158689854
2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 162006588
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118154242
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
5-[4-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 163545028
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole
CID 159055831
2-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235204
9-[4-(3-carbazol-9-ylphenyl)-6-[3-[3-[4-[2-(3-dibenzothiophen-4-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 163835526
2-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-[4-(9-phenylcarbazol-2-yl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 160697794
11-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235139

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole?
The IUPAC name of 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole (CID 118133174) is 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole?
The canonical SMILES for 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc6c5sc5ccccc56)n4)c3c2)cc1.
What is the InChIKey of 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole?
The InChIKey is FJHNMUJCPLWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3S/c1-2-9-22(10-3-1)23-17-18-25-24-11-4-6-15-30(24)37(31(25)21-23)34-35-20-19-29(36-34)28-14-8-13-27-26-12-5-7-16-32(26)38-33(27)28/h1-21H.
What are the key properties of 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole?
9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole has a molecular weight of 503.63 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole is sourced from PubChem (CID 118133174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).